CID 135544930

N'-[(e)-(2,4-dihydroxyphenyl)methylidene]-2-{[4-ethyl-5-(4-methoxyphenyl)-4h-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide

Structural Information

Molecular Formula
C20H21N5O4S
SMILES
CCN1C(=NN=C1SCC(=O)N/N=C/C2=C(C=C(C=C2)O)O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C20H21N5O4S/c1-3-25-19(13-5-8-16(29-2)9-6-13)23-24-20(25)30-12-18(28)22-21-11-14-4-7-15(26)10-17(14)27/h4-11,26-27H,3,12H2,1-2H3,(H,22,28)/b21-11+
InChIKey
ILFSIRFAAUCLCZ-SRZZPIQSSA-N
Compound name
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.13144 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.13872 199.4
[M+Na]+ 450.12066 206.7
[M-H]- 426.12416 205.1
[M+NH4]+ 445.16526 206.4
[M+K]+ 466.09460 200.5
[M+H-H2O]+ 410.12870 189.2
[M+HCOO]- 472.12964 215.7
[M+CH3COO]- 486.14529 227.5
[M+Na-2H]- 448.10611 198.7
[M]+ 427.13089 204.7
[M]- 427.13199 204.7
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.