CID 9589292

126826-58-2

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]+ 296.142716 168.7
[M+Na]+ 318.124658 175.1
[M-H]- 294.128164 174.7
[M+NH4]+ 313.169263 184.9
[M+K]+ 334.098598 170.9
[M+H-H2O]+ 278.132700 161.0
[M+HCOO]- 340.133641 186.9
[M+CH3COO]- 354.149291 204.4
[M+Na-2H]- 316.110106 169.5
[M]+ 295.13489142 168.9
[M]- 295.13598858 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.