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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.11789 151.1
[M+Na]+ 261.09983 157.9
[M-H]- 237.10333 156.1
[M+NH4]+ 256.14443 168.1
[M+K]+ 277.07377 157.7
[M+H-H2O]+ 221.10787 145.0
[M+HCOO]- 283.10881 170.1
[M+CH3COO]- 297.12446 162.6
[M+Na-2H]- 259.08528 158.1
[M]+ 238.11006 146.2
[M]- 238.11116 146.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe