CID 6510233

126826-50-4

Structural Information

Molecular Formula
C12H17N3O2S
SMILES
CCN\1CCC/C1=N/S(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C12H17N3O2S/c1-2-15-9-3-4-12(15)14-18(16,17)11-7-5-10(13)6-8-11/h5-8H,2-4,9,13H2,1H3/b14-12-
InChIKey
LZVKKZYKPGZBRA-OWBHPGMISA-N
Compound name
(NZ)-4-amino-N-(1-ethylpyrrolidin-2-ylidene)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.10416 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.11144 160.1
[M+Na]+ 290.09338 167.5
[M-H]- 266.09688 166.5
[M+NH4]+ 285.13798 177.5
[M+K]+ 306.06732 163.7
[M+H-H2O]+ 250.10142 152.8
[M+HCOO]- 312.10236 178.9
[M+CH3COO]- 326.11801 198.4
[M+Na-2H]- 288.07883 161.8
[M]+ 267.10361 159.7
[M]- 267.10471 159.7
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.