CID 135624092

Brn 4204942

Structural Information

Molecular Formula
C14H14N4O3S
SMILES
C1=CC(=CC=C1/C=N/NC(=O)CCC(=O)NC2=NC=CS2)O
InChI
InChI=1S/C14H14N4O3S/c19-11-3-1-10(2-4-11)9-16-18-13(21)6-5-12(20)17-14-15-7-8-22-14/h1-4,7-9,19H,5-6H2,(H,18,21)(H,15,17,20)/b16-9+
InChIKey
IXZCZYBQADZYOM-CXUHLZMHSA-N
Compound name
N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-(1,3-thiazol-2-yl)butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.07867 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.08595 171.9
[M+Na]+ 341.06789 179.3
[M+NH4]+ 336.11249 177.2
[M+K]+ 357.04183 174.6
[M-H]- 317.07139 174.3
[M+Na-2H]- 339.05334 177.2
[M]+ 318.07812 173.5
[M]- 318.07922 173.5
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.