CID 9589176

Butanoic acid, 4-oxo-4-(2-thiazolylamino)-, (phenylmethylene)hydrazide

Structural Information

Molecular Formula
C14H14N4O2S
SMILES
C1=CC=C(C=C1)/C=N/NC(=O)CCC(=O)NC2=NC=CS2
InChI
InChI=1S/C14H14N4O2S/c19-12(17-14-15-8-9-21-14)6-7-13(20)18-16-10-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,18,20)(H,15,17,19)/b16-10+
InChIKey
ORYZYUIJKFXYTQ-MHWRWJLKSA-N
Compound name
N'-[(E)-benzylideneamino]-N-(1,3-thiazol-2-yl)butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.08374 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.091016 168.2
[M+Na]+ 325.072958 173.1
[M-H]- 301.076464 174.7
[M+NH4]+ 320.117563 183.3
[M+K]+ 341.046898 169.4
[M+H-H2O]+ 285.081000 159.0
[M+HCOO]- 347.081941 190.4
[M+CH3COO]- 361.097591 207.0
[M+Na-2H]- 323.058406 171.0
[M]+ 302.08319142 169.8
[M]- 302.08428858 169.8
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.