CID 6510235

N-(1-ethyl-2-pyrrolidinylidene)-4-((phenylmethylene)amino)benzenesulfonamide

Structural Information

Molecular Formula
C19H21N3O2S
SMILES
CCN\1CCC/C1=N/S(=O)(=O)C2=CC=C(C=C2)N=CC3=CC=CC=C3
InChI
InChI=1S/C19H21N3O2S/c1-2-22-14-6-9-19(22)21-25(23,24)18-12-10-17(11-13-18)20-15-16-7-4-3-5-8-16/h3-5,7-8,10-13,15H,2,6,9,14H2,1H3/b20-15?,21-19-
InChIKey
NERSXPVFWLIVBC-HNNJTJCISA-N
Compound name
(NZ)-4-(benzylideneamino)-N-(1-ethylpyrrolidin-2-ylidene)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.13544 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.14272 184.9
[M+Na]+ 378.12466 191.5
[M-H]- 354.12816 195.7
[M+NH4]+ 373.16926 199.1
[M+K]+ 394.09860 186.2
[M+H-H2O]+ 338.13270 175.5
[M+HCOO]- 400.13364 205.3
[M+CH3COO]- 414.14929 216.9
[M+Na-2H]- 376.11011 186.9
[M]+ 355.13489 186.4
[M]- 355.13599 186.4
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.