CID 6148860

Nsc641850

Structural Information

Molecular Formula
C18H21N3O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N/N=C(/C)\CC(=O)NC2=CC=CC=C2C
InChI
InChI=1S/C18H21N3O3S/c1-13-8-10-16(11-9-13)25(23,24)21-20-15(3)12-18(22)19-17-7-5-4-6-14(17)2/h4-11,21H,12H2,1-3H3,(H,19,22)/b20-15-
InChIKey
WJXIJKIQGFAWPZ-HKWRFOASSA-N
Compound name
(3Z)-N-(2-methylphenyl)-3-[(4-methylphenyl)sulfonylhydrazinylidene]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.13037 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.13765 183.9
[M+Na]+ 382.11959 188.9
[M-H]- 358.12309 191.6
[M+NH4]+ 377.16419 196.4
[M+K]+ 398.09353 184.8
[M+H-H2O]+ 342.12763 175.0
[M+HCOO]- 404.12857 203.8
[M+CH3COO]- 418.14422 221.4
[M+Na-2H]- 380.10504 186.6
[M]+ 359.12982 186.4
[M]- 359.13092 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.