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]+ 358.05422 173.4
[M+Na]+ 380.03616 183.8
[M-H]- 356.03966 177.8
[M+NH4]+ 375.08076 182.5
[M+K]+ 396.01010 177.0
[M+H-H2O]+ 340.04420 166.4
[M+HCOO]- 402.04514 177.6
[M+CH3COO]- 416.06079 182.7
[M+Na-2H]- 378.02161 174.6
[M]+ 357.04639 180.5
[M]- 357.04749 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.