CID 719579

70401-32-0

Structural Information

Molecular Formula

C₁₆H₁₄N₂O

SMILES

CC1=CC2=C(C=C1)N(C3=CC=CC=C3C=C2)C(=O)N

InChI

InChI=1S/C16H14N2O/c1-11-6-9-15-13(10-11)8-7-12-4-2-3-5-14(12)18(15)16(17)19/h2-10H,1H3,(H2,17,19)

InChIKey

WLUGVRXHDCWYLA-UHFFFAOYSA-N

Compound name

3-methylbenzo[b][1]benzazepine-11-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 5
Patents: 250.11061 Da
Monoisotopic Mass: 2.8
XlogP (predicted)

Profile

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]+	251.117886	155.1
[M+Na]+	273.099828	163.4
[M-H]-	249.103334	160.7
[M+NH4]+	268.144433	172.1
[M+K]+	289.073768	163.1
[M+H-H2O]+	233.107870	149.2
[M+HCOO]-	295.108811	175.2
[M+CH3COO]-	309.124461	167.1
[M+Na-2H]-	271.085276	161.9
[M]+	250.11006142	152.3
[M]-	250.11115858	152.3

Literature stripe

literature stripe

Patent stripe

patents stripe