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]+ 254.095776 155.6
[M+Na]+ 276.077718 162.5
[M-H]- 252.081224 161.8
[M+NH4]+ 271.122323 173.2
[M+K]+ 292.051658 159.0
[M+H-H2O]+ 236.085760 148.1
[M+HCOO]- 298.086701 174.8
[M+CH3COO]- 312.102351 194.2
[M+Na-2H]- 274.063166 158.4
[M]+ 253.08795142 154.4
[M]- 253.08904858 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.