CID 9589296

126826-65-1

Structural Information

Molecular Formula
C11H15N3O2S
SMILES
C1CCN(C1)/C=N/S(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C11H15N3O2S/c12-10-3-5-11(6-4-10)17(15,16)13-9-14-7-1-2-8-14/h3-6,9H,1-2,7-8,12H2/b13-9+
InChIKey
DBQKBULROPCQIC-UKTHLTGXSA-N
Compound name
(NE)-4-amino-N-(pyrrolidin-1-ylmethylidene)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.0885 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.09578 155.6
[M+Na]+ 276.07772 162.5
[M-H]- 252.08122 161.8
[M+NH4]+ 271.12232 173.2
[M+K]+ 292.05166 159.0
[M+H-H2O]+ 236.08576 148.1
[M+HCOO]- 298.08670 174.8
[M+CH3COO]- 312.10235 194.2
[M+Na-2H]- 274.06317 158.4
[M]+ 253.08795 154.4
[M]- 253.08905 154.4
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.