CID 1420519

477329-08-1

Structural Information

Molecular Formula
C25H24N6O3S
SMILES
CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)NC(=O)C)C4=CN=CC=C4
InChI
InChI=1S/C25H24N6O3S/c1-3-34-22-12-10-21(11-13-22)31-24(18-5-4-14-26-15-18)29-30-25(31)35-16-23(33)28-20-8-6-19(7-9-20)27-17(2)32/h4-15H,3,16H2,1-2H3,(H,27,32)(H,28,33)
InChIKey
DPLVUZLOIYWELD-UHFFFAOYSA-N
Compound name
N-(4-acetamidophenyl)-2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.16306 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.17034 213.6
[M+Na]+ 511.15228 226.5
[M+NH4]+ 506.19688 217.8
[M+K]+ 527.12622 219.8
[M-H]- 487.15578 219.4
[M+Na-2H]- 509.13773 223.1
[M]+ 488.16251 217.3
[M]- 488.16361 217.3
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.