CID 9555842

Nsc641853

Structural Information

Molecular Formula
C19H23N3O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N/N=C(\C)/CC(=O)NCCC2=CC=CC=C2
InChI
InChI=1S/C19H23N3O3S/c1-15-8-10-18(11-9-15)26(24,25)22-21-16(2)14-19(23)20-13-12-17-6-4-3-5-7-17/h3-11,22H,12-14H2,1-2H3,(H,20,23)/b21-16+
InChIKey
OYNSBVXFPUVUCQ-LTGZKZEYSA-N
Compound name
(3E)-3-[(4-methylphenyl)sulfonylhydrazinylidene]-N-(2-phenylethyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.14603 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.15331 188.1
[M+Na]+ 396.13525 191.8
[M-H]- 372.13875 195.1
[M+NH4]+ 391.17985 199.7
[M+K]+ 412.10919 187.3
[M+H-H2O]+ 356.14329 178.7
[M+HCOO]- 418.14423 207.6
[M+CH3COO]- 432.15988 223.1
[M+Na-2H]- 394.12070 191.0
[M]+ 373.14548 190.5
[M]- 373.14658 190.5
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.