CID 3061045

2-(p-sulfonamidophenyl)-4,7-dihydro-4,7-methanoisoindole

Structural Information

Molecular Formula
C15H14N2O2S
SMILES
C1C2C=CC1C3=CN(C=C23)C4=CC=C(C=C4)S(=O)(=O)N
InChI
InChI=1S/C15H14N2O2S/c16-20(18,19)13-5-3-12(4-6-13)17-8-14-10-1-2-11(7-10)15(14)9-17/h1-6,8-11H,7H2,(H2,16,18,19)
InChIKey
XMMXZXCGIKUPHH-UHFFFAOYSA-N
Compound name
4-(4-azatricyclo[5.2.1.02,6]deca-2,5,8-trien-4-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.0776 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.08488 166.3
[M+Na]+ 309.06682 177.6
[M-H]- 285.07032 173.8
[M+NH4]+ 304.11142 189.4
[M+K]+ 325.04076 173.5
[M+H-H2O]+ 269.07486 162.8
[M+HCOO]- 331.07580 184.5
[M+CH3COO]- 345.09145 179.6
[M+Na-2H]- 307.05227 168.0
[M]+ 286.07705 171.0
[M]- 286.07815 171.0
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

No patent data available for this compound.