CID 6510231

4-amino-n-(1-methylpyrrolidin-2-ylidene)benzene-1-sulfonamide

Structural Information

Molecular Formula
C11H15N3O2S
SMILES
CN\1CCC/C1=N/S(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C11H15N3O2S/c1-14-8-2-3-11(14)13-17(15,16)10-6-4-9(12)5-7-10/h4-7H,2-3,8,12H2,1H3/b13-11-
InChIKey
ASQPQNKOPBDHPS-QBFSEMIESA-N
Compound name
(NZ)-4-amino-N-(1-methylpyrrolidin-2-ylidene)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

253.0885 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.09578 155.8
[M+Na]+ 276.07772 163.6
[M-H]- 252.08122 162.4
[M+NH4]+ 271.12232 173.7
[M+K]+ 292.05166 160.0
[M+H-H2O]+ 236.08576 148.6
[M+HCOO]- 298.08670 174.9
[M+CH3COO]- 312.10235 195.4
[M+Na-2H]- 274.06317 157.9
[M]+ 253.08795 155.0
[M]- 253.08905 155.0
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

No patent data available for this compound.