PubChemLite - N37-10-15c (C30H33Cl2FN4O3)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)CCN(CC(=O)N(CCC2=C(C=C(C=C2)Cl)Cl)CC(=O)N)C(=O)CNCCC3=CC=C(C=C3)F

InChI

InChI=1S/C30H33Cl2FN4O3/c31-25-9-8-24(27(32)18-25)14-17-36(20-28(34)38)30(40)21-37(16-13-22-4-2-1-3-5-22)29(39)19-35-15-12-23-6-10-26(33)11-7-23/h1-11,18,35H,12-17,19-21H2,(H2,34,38)

InChIKey

PHFZJIFLILBPGP-UHFFFAOYSA-N

Compound name

N-[2-[(2-amino-2-oxoethyl)-[2-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-2-[2-(4-fluorophenyl)ethylamino]-N-(2-phenylethyl)acetamide

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]+	587.19863	242.6
[M+Na]+	609.18057	243.9
[M-H]-	585.18407	250.5
[M+NH4]+	604.22517	246.2
[M+K]+	625.15451	238.0
[M+H-H2O]+	569.18861	231.1
[M+HCOO]-	631.18955	255.0
[M+CH3COO]-	645.20520	268.6
[M+Na-2H]-	607.16602	237.3
[M]+	586.19080	248.3
[M]-	586.19190	248.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

587.19863

242.6

[M+Na]+

609.18057

243.9

[M-H]-

585.18407

250.5

[M+NH4]+

604.22517

246.2

[M+K]+

625.15451

238.0

[M+H-H2O]+

569.18861

231.1

[M+HCOO]-

631.18955

255.0

[M+CH3COO]-

645.20520

268.6

[M+Na-2H]-

607.16602

237.3

[M]+

586.19080

248.3

[M]-

586.19190

248.3

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

N37-10-15c

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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