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

4
Patents

240.05687 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.06415 149.6
[M+Na]+ 263.04609 155.3
[M-H]- 239.04959 152.0
[M+NH4]+ 258.09069 164.9
[M+K]+ 279.02003 156.3
[M+H-H2O]+ 223.05413 144.0
[M+HCOO]- 285.05507 162.3
[M+CH3COO]- 299.07072 188.6
[M+Na-2H]- 261.03154 153.6
[M]+ 240.05632 144.4
[M]- 240.05742 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