CID 135407379

Acetic acid, [(3-methyl-1h-1,2,4-triazol-5-yl)thio]-, [(1e)-1-(4-hydroxyphenyl)ethylidene]hydrazide

Structural Information

Molecular Formula
C13H15N5O2S
SMILES
CC1=NC(=NN1)SCC(=O)N/N=C(\C)/C2=CC=C(C=C2)O
InChI
InChI=1S/C13H15N5O2S/c1-8(10-3-5-11(19)6-4-10)15-17-12(20)7-21-13-14-9(2)16-18-13/h3-6,19H,7H2,1-2H3,(H,17,20)(H,14,16,18)/b15-8+
InChIKey
KDXXTSGFIHWERV-OVCLIPMQSA-N
Compound name
N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

305.09464 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.10192 168.7
[M+Na]+ 328.08386 175.7
[M-H]- 304.08736 170.9
[M+NH4]+ 323.12846 180.7
[M+K]+ 344.05780 170.8
[M+H-H2O]+ 288.09190 159.9
[M+HCOO]- 350.09284 184.6
[M+CH3COO]- 364.10849 203.5
[M+Na-2H]- 326.06931 169.3
[M]+ 305.09409 169.7
[M]- 305.09519 169.7
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

No patent data available for this compound.