CID 90950468

Prp_m358a

Structural Information

Molecular Formula
C15H17Cl2N3O3
SMILES
C1C(OC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl)CCCO
InChI
InChI=1S/C15H17Cl2N3O3/c16-11-3-4-13(14(17)6-11)15(8-20-10-18-9-19-20)22-7-12(23-15)2-1-5-21/h3-4,6,9-10,12,21H,1-2,5,7-8H2
InChIKey
GZZNFYOGUUPAEU-UHFFFAOYSA-N
Compound name
3-[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

0
Patents

357.0647 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.07198 178.0
[M+Na]+ 380.05392 186.9
[M-H]- 356.05742 183.0
[M+NH4]+ 375.09852 189.8
[M+K]+ 396.02786 183.0
[M+H-H2O]+ 340.06196 169.4
[M+HCOO]- 402.06290 185.1
[M+CH3COO]- 416.07855 187.9
[M+Na-2H]- 378.03937 178.2
[M]+ 357.06415 182.7
[M]- 357.06525 182.7
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

No patent data available for this compound.