CID 71314504

1219170-51-0

Structural Information

Molecular Formula
C16H13N3O2
SMILES
C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)NC(=O)N
InChI
InChI=1S/C16H13N3O2/c17-15(20)18-16(21)19-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)19/h1-10H,(H3,17,18,20,21)
InChIKey
CGYQIRGCBFIMCX-UHFFFAOYSA-N
Compound name
N-carbamoylbenzo[b][1]benzazepine-11-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.10077 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.10805 161.3
[M+Na]+ 302.08999 167.9
[M-H]- 278.09349 166.7
[M+NH4]+ 297.13459 176.5
[M+K]+ 318.06393 168.8
[M+H-H2O]+ 262.09803 154.7
[M+HCOO]- 324.09897 181.9
[M+CH3COO]- 338.11462 172.3
[M+Na-2H]- 300.07544 168.3
[M]+ 279.10022 157.6
[M]- 279.10132 157.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.