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 170.9
[M+Na]+ 341.06789 176.0
[M-H]- 317.07139 176.3
[M+NH4]+ 336.11249 184.8
[M+K]+ 357.04183 172.0
[M+H-H2O]+ 301.07593 162.1
[M+HCOO]- 363.07687 191.8
[M+CH3COO]- 377.09252 208.0
[M+Na-2H]- 339.05334 172.9
[M]+ 318.07812 172.4
[M]- 318.07922 172.4
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.