CID 729446

102873-09-6

Structural Information

Molecular Formula
C10H13N3O2S
SMILES
C1CC(=NC1)NS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C10H13N3O2S/c11-8-3-5-9(6-4-8)16(14,15)13-10-2-1-7-12-10/h3-6H,1-2,7,11H2,(H,12,13)
InChIKey
LBAXXVMCDDENJT-UHFFFAOYSA-N
Compound name
4-amino-N-(3,4-dihydro-2H-pyrrol-5-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

239.07285 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.08013 150.5
[M+Na]+ 262.06207 158.2
[M-H]- 238.06557 155.9
[M+NH4]+ 257.10667 168.2
[M+K]+ 278.03601 154.4
[M+H-H2O]+ 222.07011 143.5
[M+HCOO]- 284.07105 169.8
[M+CH3COO]- 298.08670 189.2
[M+Na-2H]- 260.04752 154.4
[M]+ 239.07230 149.2
[M]- 239.07340 149.2
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.