CID 3061045

78593-80-3

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]+ 287.084876 166.3
[M+Na]+ 309.066818 177.6
[M-H]- 285.070324 173.8
[M+NH4]+ 304.111423 189.4
[M+K]+ 325.040758 173.5
[M+H-H2O]+ 269.074860 162.8
[M+HCOO]- 331.075801 184.5
[M+CH3COO]- 345.091451 179.6
[M+Na-2H]- 307.052266 168.0
[M]+ 286.07705142 171.0
[M]- 286.07814858 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.