CID 162345064

Ns00133100

Structural Information

Molecular Formula
C15H13ClN2O2
SMILES
C1=CC=C2C(=C1)C(C(C3=CC=CC=C3N2C(=O)N)Cl)O
InChI
InChI=1S/C15H13ClN2O2/c16-13-9-5-1-3-7-11(9)18(15(17)20)12-8-4-2-6-10(12)14(13)19/h1-8,13-14,19H,(H2,17,20)
InChIKey
CGTSDDMIZILEMM-UHFFFAOYSA-N
Compound name
5-chloro-6-hydroxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.06656 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.073836 161.0
[M+Na]+ 311.055778 170.4
[M-H]- 287.059284 165.0
[M+NH4]+ 306.100383 177.0
[M+K]+ 327.029718 169.3
[M+H-H2O]+ 271.063820 155.4
[M+HCOO]- 333.064761 174.6
[M+CH3COO]- 347.080411 172.1
[M+Na-2H]- 309.041226 165.9
[M]+ 288.06601142 158.7
[M]- 288.06710858 158.7
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.