CID 3009136

1-[[(2r,4s)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)-1,3-dioxolan-4-yl]methyl]-1,2,4-triazole

Structural Information

Molecular Formula
C14H12Cl2N6O2
SMILES
C1[C@@H](O[C@](O1)(C2=C(C=C(C=C2)Cl)Cl)N3C=NC=N3)CN4C=NC=N4
InChI
InChI=1S/C14H12Cl2N6O2/c15-10-1-2-12(13(16)3-10)14(22-9-18-7-20-22)23-5-11(24-14)4-21-8-17-6-19-21/h1-3,6-9,11H,4-5H2/t11-,14+/m0/s1
InChIKey
HATNDECMHWJDNF-SMDDNHRTSA-N
Compound name
1-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)-1,3-dioxolan-4-yl]methyl]-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.0399 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.04718 174.9
[M+Na]+ 389.02912 186.2
[M-H]- 365.03262 181.5
[M+NH4]+ 384.07372 184.1
[M+K]+ 405.00306 183.0
[M+H-H2O]+ 349.03716 162.6
[M+HCOO]- 411.03810 182.6
[M+CH3COO]- 425.05375 185.0
[M+Na-2H]- 387.01457 173.8
[M]+ 366.03935 180.2
[M]- 366.04045 180.2
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.