PubChemLite - Ethyl (10,11-dihydro-5-(((1-phenylethyl)amino)acetyl)-5h-dibenz(b,f)azepin-3-yl)carbamate hcl (C27H29N3O3)

Structural Information

Molecular Formula

SMILES

CCOC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)CNC(C)C4=CC=CC=C4)C=C1

InChI

InChI=1S/C27H29N3O3/c1-3-33-27(32)29-23-16-15-22-14-13-21-11-7-8-12-24(21)30(25(22)17-23)26(31)18-28-19(2)20-9-5-4-6-10-20/h4-12,15-17,19,28H,3,13-14,18H2,1-2H3,(H,29,32)

InChIKey

YTEIWLNZRYYOST-UHFFFAOYSA-N

Compound name

ethyl N-[11-[2-(1-phenylethylamino)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	444.22818	208.6
[M+Na]+	466.21012	211.0
[M-H]-	442.21362	215.7
[M+NH4]+	461.25472	216.8
[M+K]+	482.18406	211.4
[M+H-H2O]+	426.21816	199.5
[M+HCOO]-	488.21910	224.9
[M+CH3COO]-	502.23475	236.4
[M+Na-2H]-	464.19557	210.6
[M]+	443.22035	206.3
[M]-	443.22145	206.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

444.22818

208.6

[M+Na]+

466.21012

211.0

[M-H]-

442.21362

215.7

[M+NH4]+

461.25472

216.8

[M+K]+

482.18406

211.4

[M+H-H2O]+

426.21816

199.5

[M+HCOO]-

488.21910

224.9

[M+CH3COO]-

502.23475

236.4

[M+Na-2H]-

464.19557

210.6

[M]+

443.22035

206.3

[M]-

443.22145

206.3

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Ethyl (10,11-dihydro-5-(((1-phenylethyl)amino)acetyl)-5h-dibenz(b,f)azepin-3-yl)carbamate hcl

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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