CID 135558976

[(4-{[(e)-(4-hydroxyphenyl)methylidene]amino}-5-methyl-4h-1,2,4-triazol-3-yl)sulfanyl]acetic acid

Structural Information

Molecular Formula
C12H12N4O3S
SMILES
CC1=NN=C(N1/N=C/C2=CC=C(C=C2)O)SCC(=O)O
InChI
InChI=1S/C12H12N4O3S/c1-8-14-15-12(20-7-11(18)19)16(8)13-6-9-2-4-10(17)5-3-9/h2-6,17H,7H2,1H3,(H,18,19)/b13-6+
InChIKey
MCFAKNDERAPPTQ-AWNIVKPZSA-N
Compound name
2-[[4-[(E)-(4-hydroxyphenyl)methylideneamino]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.06302 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.07030 165.8
[M+Na]+ 315.05224 176.3
[M+NH4]+ 310.09684 170.9
[M+K]+ 331.02618 171.7
[M-H]- 291.05574 166.3
[M+Na-2H]- 313.03769 170.3
[M]+ 292.06247 167.5
[M]- 292.06357 167.5
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.