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]+ 342.12708 180.6
[M+Na]+ 364.10902 187.6
[M-H]- 340.11252 191.6
[M+NH4]+ 359.15362 195.4
[M+K]+ 380.08296 182.6
[M+H-H2O]+ 324.11706 171.4
[M+HCOO]- 386.11800 201.3
[M+CH3COO]- 400.13365 213.9
[M+Na-2H]- 362.09447 183.1
[M]+ 341.11925 181.8
[M]- 341.12035 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.