CID 1414557

477329-28-5

Structural Information

Molecular Formula
C24H23N5O3S
SMILES
CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)OC)C4=CN=CC=C4
InChI
InChI=1S/C24H23N5O3S/c1-3-32-21-12-8-19(9-13-21)29-23(17-5-4-14-25-15-17)27-28-24(29)33-16-22(30)26-18-6-10-20(31-2)11-7-18/h4-15H,3,16H2,1-2H3,(H,26,30)
InChIKey
RBFLZRFWUNVOLQ-UHFFFAOYSA-N
Compound name
2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

461.15216 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.15944 208.7
[M+Na]+ 484.14138 216.0
[M-H]- 460.14488 216.9
[M+NH4]+ 479.18598 213.2
[M+K]+ 500.11532 208.9
[M+H-H2O]+ 444.14942 196.5
[M+HCOO]- 506.15036 223.7
[M+CH3COO]- 520.16601 216.4
[M+Na-2H]- 482.12683 208.4
[M]+ 461.15161 214.3
[M]- 461.15271 214.3
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.