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 162.7
[M+Na]+ 309.06682 172.8
[M+NH4]+ 304.11142 171.7
[M+K]+ 325.04076 170.5
[M-H]- 285.07032 164.9
[M+Na-2H]- 307.05227 166.0
[M]+ 286.07705 165.1
[M]- 286.07815 165.1
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.