CID 9589292

4-amino-n-(1-butyl-2-pyrrolidinylidene)benzenesulfonamide

Structural Information

Molecular Formula
C14H21N3O2S
SMILES
CCCCN\1CCC/C1=N\S(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C14H21N3O2S/c1-2-3-10-17-11-4-5-14(17)16-20(18,19)13-8-6-12(15)7-9-13/h6-9H,2-5,10-11,15H2,1H3/b16-14+
InChIKey
IBAHCHOCDXMEGE-JQIJEIRASA-N
Compound name
(NE)-4-amino-N-(1-butylpyrrolidin-2-ylidene)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.13544 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.14272 168.7
[M+Na]+ 318.12466 175.1
[M-H]- 294.12816 174.7
[M+NH4]+ 313.16926 184.9
[M+K]+ 334.09860 170.9
[M+H-H2O]+ 278.13270 161.0
[M+HCOO]- 340.13364 186.9
[M+CH3COO]- 354.14929 204.4
[M+Na-2H]- 316.11011 169.5
[M]+ 295.13489 168.9
[M]- 295.13599 168.9
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.