CID 3007652

107659-77-8

Structural Information

Molecular Formula
C20H19N3O3
SMILES
CC1=CC=C(C=C1)[C@@H]2[C@@](OC(=O)O2)(CN3C=NC=N3)C4=CC=C(C=C4)C
InChI
InChI=1S/C20H19N3O3/c1-14-3-7-16(8-4-14)18-20(26-19(24)25-18,11-23-13-21-12-22-23)17-9-5-15(2)6-10-17/h3-10,12-13,18H,11H2,1-2H3/t18-,20-/m1/s1
InChIKey
SZECVRQNFDXUCS-UYAOXDASSA-N
Compound name
(4S,5R)-4,5-bis(4-methylphenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

349.14264 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.14992 180.1
[M+Na]+ 372.13186 189.4
[M-H]- 348.13536 191.3
[M+NH4]+ 367.17646 191.6
[M+K]+ 388.10580 186.7
[M+H-H2O]+ 332.13990 170.3
[M+HCOO]- 394.14084 198.7
[M+CH3COO]- 408.15649 191.5
[M+Na-2H]- 370.11731 180.6
[M]+ 349.14209 183.0
[M]- 349.14319 183.0
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.