CID 1544139

477318-74-4

Structural Information

Molecular Formula
C24H22ClN5O2S
SMILES
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=C(C(=C3)C)Cl)OC)C4=CC=NC=C4
InChI
InChI=1S/C24H22ClN5O2S/c1-15-4-6-18(7-5-15)30-23(17-8-10-26-11-9-17)28-29-24(30)33-14-22(31)27-20-12-16(2)19(25)13-21(20)32-3/h4-13H,14H2,1-3H3,(H,27,31)
InChIKey
FHHDGLRXVMUHHV-UHFFFAOYSA-N
Compound name
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.1183 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.12558 214.7
[M+Na]+ 502.10752 231.5
[M+NH4]+ 497.15212 220.8
[M+K]+ 518.08146 222.3
[M-H]- 478.11102 221.4
[M+Na-2H]- 500.09297 224.5
[M]+ 479.11775 219.8
[M]- 479.11885 219.8
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.