CID 1602024

477330-53-3

Structural Information

Molecular Formula
C23H17Cl2FN4OS
SMILES
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC(=C(C=C3)F)Cl)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H17Cl2FN4OS/c1-14-2-9-18(10-3-14)30-22(15-4-6-16(24)7-5-15)28-29-23(30)32-13-21(31)27-17-8-11-20(26)19(25)12-17/h2-12H,13H2,1H3,(H,27,31)
InChIKey
YKKMHKMNXHLMCB-UHFFFAOYSA-N
Compound name
N-(3-chloro-4-fluorophenyl)-2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.0484 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.05568 212.1
[M+Na]+ 509.03762 228.8
[M+NH4]+ 504.08222 218.9
[M+K]+ 525.01156 218.5
[M-H]- 485.04112 218.1
[M+Na-2H]- 507.02307 221.7
[M]+ 486.04785 217.3
[M]- 486.04895 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.