CID 18506755

Unii-6qlt06m338

Structural Information

Molecular Formula
C15H17Cl2N3OS
SMILES
CSC1=NC=NN1CC(CC2=CC=CC=C2Cl)(C3(CC3)Cl)O
InChI
InChI=1S/C15H17Cl2N3OS/c1-22-13-18-10-19-20(13)9-15(21,14(17)6-7-14)8-11-4-2-3-5-12(11)16/h2-5,10,21H,6-9H2,1H3
InChIKey
ZXMXTEOZDXZOBF-UHFFFAOYSA-N
Compound name
2-(1-chlorocyclopropyl)-1-(2-chlorophenyl)-3-(5-methylsulfanyl-1,2,4-triazol-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

27
Patents

357.04694 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.054216 173.4
[M+Na]+ 380.036158 183.8
[M-H]- 356.039664 177.8
[M+NH4]+ 375.080763 182.5
[M+K]+ 396.010098 177.0
[M+H-H2O]+ 340.044200 166.4
[M+HCOO]- 402.045141 177.6
[M+CH3COO]- 416.060791 182.7
[M+Na-2H]- 378.021606 174.6
[M]+ 357.04639142 180.5
[M]- 357.04748858 180.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe