CID 47147921

2-oxo-2,3,4,5-tetrahydro-1h-1-benzazepine-7-sulfonamide

Structural Information

Molecular Formula
C10H12N2O3S
SMILES
C1CC2=C(C=CC(=C2)S(=O)(=O)N)NC(=O)C1
InChI
InChI=1S/C10H12N2O3S/c11-16(14,15)8-4-5-9-7(6-8)2-1-3-10(13)12-9/h4-6H,1-3H2,(H,12,13)(H2,11,14,15)
InChIKey
PHTUQQIOXGXIQN-UHFFFAOYSA-N
Compound name
2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

240.05687 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.064146 149.6
[M+Na]+ 263.046088 155.3
[M-H]- 239.049594 152.0
[M+NH4]+ 258.090693 164.9
[M+K]+ 279.020028 156.3
[M+H-H2O]+ 223.054130 144.0
[M+HCOO]- 285.055071 162.3
[M+CH3COO]- 299.070721 188.6
[M+Na-2H]- 261.031536 153.6
[M]+ 240.05632142 144.4
[M]- 240.05741858 144.4
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

patents stripe