CID 1528796

2-{[5-(4-chlorophenyl)-4-(2-methylphenyl)-4h-1,2,4-triazol-3-yl]sulfanyl}-n-(4-methoxyphenyl)acetamide

Structural Information

Molecular Formula
C24H21ClN4O2S
SMILES
CC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)OC)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C24H21ClN4O2S/c1-16-5-3-4-6-21(16)29-23(17-7-9-18(25)10-8-17)27-28-24(29)32-15-22(30)26-19-11-13-20(31-2)14-12-19/h3-14H,15H2,1-2H3,(H,26,30)
InChIKey
VGDFIGDQPUCGQK-UHFFFAOYSA-N
Compound name
2-[[5-(4-chlorophenyl)-4-(2-methylphenyl)-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

464.10736 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.11464 209.8
[M+Na]+ 487.09658 218.9
[M-H]- 463.10008 219.4
[M+NH4]+ 482.14118 216.9
[M+K]+ 503.07052 210.5
[M+H-H2O]+ 447.10462 198.7
[M+HCOO]- 509.10556 221.3
[M+CH3COO]- 523.12121 218.3
[M+Na-2H]- 485.08203 207.9
[M]+ 464.10681 216.5
[M]- 464.10791 216.5
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.