CID 3769999

477330-65-7

Structural Information

Molecular Formula
C25H25N5O3S
SMILES
CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=CC(=C3)C)OC)C4=CN=CC=C4
InChI
InChI=1S/C25H25N5O3S/c1-4-33-20-10-8-19(9-11-20)30-24(18-6-5-13-26-15-18)28-29-25(30)34-16-23(31)27-21-14-17(2)7-12-22(21)32-3/h5-15H,4,16H2,1-3H3,(H,27,31)
InChIKey
GSRMMLMTKRNSLB-UHFFFAOYSA-N
Compound name
2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

475.16782 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.17510 213.9
[M+Na]+ 498.15704 228.8
[M+NH4]+ 493.20164 219.0
[M+K]+ 514.13098 220.9
[M-H]- 474.16054 220.0
[M+Na-2H]- 496.14249 223.5
[M]+ 475.16727 218.2
[M]- 475.16837 218.2
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.