CID 19099

10,11-dihydrocarbamazepine

Structural Information

Molecular Formula

C₁₅H₁₄N₂O

SMILES

C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)N

InChI

InChI=1S/C15H14N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-8H,9-10H2,(H2,16,18)

InChIKey

PHNLCHMJDSSPDQ-UHFFFAOYSA-N

Compound name

5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 13
References: 132
Patents: 238.11061 Da
Monoisotopic Mass: 2.3
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]+	239.11789	151.4
[M+Na]+	261.09983	163.1
[M+NH4]+	256.14443	159.8
[M+K]+	277.07377	157.3
[M-H]-	237.10333	154.7
[M+Na-2H]-	259.08528	157.8
[M]+	238.11006	154.0
[M]-	238.11116	154.0

Literature stripe

literature stripe

Patent stripe

patents stripe