PubChemLite - N-(benzyl[?]yl)-2-hydroxy-5-methyl-benzamide (C24H28N2O2)

Structural Information

Molecular Formula

SMILES

CC1=CC(=C(C=C1)O)C(=O)N[C@@H]2CCC34CCC3N(C4C2)CC5=CC=CC=C5

InChI

InChI=1S/C24H28N2O2/c1-16-7-8-20(27)19(13-16)23(28)25-18-9-11-24-12-10-21(24)26(22(24)14-18)15-17-5-3-2-4-6-17/h2-8,13,18,21-22,27H,9-12,14-15H2,1H3,(H,25,28)/t18-,21?,22?,24?/m1/s1

InChIKey

QPGHPTRMFNTOIM-MUUAMBQESA-N

Compound name

N-[(8R)-5-benzyl-5-azatricyclo[4.4.0.01,4]decan-8-yl]-2-hydroxy-5-methylbenzamide

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]+	377.22238	189.9
[M+Na]+	399.20432	191.7
[M-H]-	375.20782	196.7
[M+NH4]+	394.24892	189.9
[M+K]+	415.17826	192.8
[M+H-H2O]+	359.21236	170.4
[M+HCOO]-	421.21330	200.9
[M+CH3COO]-	435.22895	228.9
[M+Na-2H]-	397.18977	190.0
[M]+	376.21455	202.4
[M]-	376.21565	202.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

377.22238

189.9

[M+Na]+

399.20432

191.7

[M-H]-

375.20782

196.7

[M+NH4]+

394.24892

189.9

[M+K]+

415.17826

192.8

[M+H-H2O]+

359.21236

170.4

[M+HCOO]-

421.21330

200.9

[M+CH3COO]-

435.22895

228.9

[M+Na-2H]-

397.18977

190.0

[M]+

376.21455

202.4

[M]-

376.21565

202.4

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

N-(benzyl[?]yl)-2-hydroxy-5-methyl-benzamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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