CID 6510232

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

Structural Information

Molecular Formula
C18H19N3O2S
SMILES
CN\1CCC/C1=N/S(=O)(=O)C2=CC=C(C=C2)N=CC3=CC=CC=C3
InChI
InChI=1S/C18H19N3O2S/c1-21-13-5-8-18(21)20-24(22,23)17-11-9-16(10-12-17)19-14-15-6-3-2-4-7-15/h2-4,6-7,9-12,14H,5,8,13H2,1H3/b19-14?,20-18-
InChIKey
LZUZHALQYQJRNA-YVFXQWGISA-N
Compound name
(NZ)-4-(benzylideneamino)-N-(1-methylpyrrolidin-2-ylidene)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.1198 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.127076 180.6
[M+Na]+ 364.109018 187.6
[M-H]- 340.112524 191.6
[M+NH4]+ 359.153623 195.4
[M+K]+ 380.082958 182.6
[M+H-H2O]+ 324.117060 171.4
[M+HCOO]- 386.118001 201.3
[M+CH3COO]- 400.133651 213.9
[M+Na-2H]- 362.094466 183.1
[M]+ 341.11925142 181.8
[M]- 341.12034858 181.8
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.