CID 135897343

2-((4-ethyl-5-(4-methoxyphenyl)-4h-1,2,4-triazol-3-yl)sulfanyl)-n'-((e)-1-(2-hydroxyphenyl)ethylidene)acetohydrazide

Structural Information

Molecular Formula
C21H23N5O3S
SMILES
CCN1C(=NN=C1SCC(=O)N/N=C(/C)\C2=CC=CC=C2O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C21H23N5O3S/c1-4-26-20(15-9-11-16(29-3)12-10-15)24-25-21(26)30-13-19(28)23-22-14(2)17-7-5-6-8-18(17)27/h5-12,27H,4,13H2,1-3H3,(H,23,28)/b22-14-
InChIKey
GDCOJANPUNDHAL-HMAPJEAMSA-N
Compound name
2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.15216 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.15944 201.0
[M+Na]+ 448.14138 207.4
[M-H]- 424.14488 207.5
[M+NH4]+ 443.18598 208.5
[M+K]+ 464.11532 201.7
[M+H-H2O]+ 408.14942 190.4
[M+HCOO]- 470.15036 217.2
[M+CH3COO]- 484.16601 229.9
[M+Na-2H]- 446.12683 199.6
[M]+ 425.15161 206.1
[M]- 425.15271 206.1
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.