CID 5514926

303102-93-4

Structural Information

Molecular Formula
C23H27N5O4S
SMILES
CCN1C(=NN=C1SCC(=O)N/N=C(\C)/C2=CC(=C(C=C2)OC)OC)C3=CC=C(C=C3)OC
InChI
InChI=1S/C23H27N5O4S/c1-6-28-22(16-7-10-18(30-3)11-8-16)26-27-23(28)33-14-21(29)25-24-15(2)17-9-12-19(31-4)20(13-17)32-5/h7-13H,6,14H2,1-5H3,(H,25,29)/b24-15+
InChIKey
JYORUDGCSAIPDZ-BUVRLJJBSA-N
Compound name
N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-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

469.17838 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.18566 212.9
[M+Na]+ 492.16760 223.8
[M+NH4]+ 487.21220 216.9
[M+K]+ 508.14154 218.0
[M-H]- 468.17110 216.8
[M+Na-2H]- 490.15305 219.0
[M]+ 469.17783 215.7
[M]- 469.17893 215.7
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.