CID 102537578

1330751-23-9

Structural Information

Molecular Formula
C10H15N3O2S
SMILES
C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N)N
InChI
InChI=1S/C10H15N3O2S/c11-9-4-3-8(7-10(9)12)16(14,15)13-5-1-2-6-13/h3-4,7H,1-2,5-6,11-12H2
InChIKey
BBBGYVTWCHIVCH-UHFFFAOYSA-N
Compound name
4-pyrrolidin-1-ylsulfonylbenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.0885 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.095776 151.8
[M+Na]+ 264.077718 159.2
[M-H]- 240.081224 156.6
[M+NH4]+ 259.122323 169.2
[M+K]+ 280.051658 155.3
[M+H-H2O]+ 224.085760 145.1
[M+HCOO]- 286.086701 169.0
[M+CH3COO]- 300.102351 190.9
[M+Na-2H]- 262.063166 153.2
[M]+ 241.08795142 148.6
[M]- 241.08904858 148.6
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.