CID 135412158

292170-13-9

Structural Information

Molecular Formula
C13H14N4O3S
SMILES
CC1=C(SC(=N1)N)C(=O)N/N=C/C2=CC(=C(C=C2)O)OC
InChI
InChI=1S/C13H14N4O3S/c1-7-11(21-13(14)16-7)12(19)17-15-6-8-3-4-9(18)10(5-8)20-2/h3-6,18H,1-2H3,(H2,14,16)(H,17,19)/b15-6+
InChIKey
AMHQGUWEVRTTJB-GIDUJCDVSA-N
Compound name
2-amino-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

306.07867 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.08595 167.8
[M+Na]+ 329.06789 175.9
[M-H]- 305.07139 173.9
[M+NH4]+ 324.11249 182.9
[M+K]+ 345.04183 171.8
[M+H-H2O]+ 289.07593 159.8
[M+HCOO]- 351.07687 189.1
[M+CH3COO]- 365.09252 208.9
[M+Na-2H]- 327.05334 168.2
[M]+ 306.07812 170.6
[M]- 306.07922 170.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe