CID 6482136

(1r,2r)-1-imidazol-1-yl-1-methoxy-2-phenyl-3-(1,2,4-triazol-1-yl)propan-2-ol

Structural Information

Molecular Formula
C15H17N5O2
SMILES
CO[C@H]([C@](CN1C=NC=N1)(C2=CC=CC=C2)O)N3C=CN=C3
InChI
InChI=1S/C15H17N5O2/c1-22-14(19-8-7-16-11-19)15(21,9-20-12-17-10-18-20)13-5-3-2-4-6-13/h2-8,10-12,14,21H,9H2,1H3/t14-,15+/m1/s1
InChIKey
DIRIGDHCBSRBRY-CABCVRRESA-N
Compound name
(1R,2R)-1-imidazol-1-yl-1-methoxy-2-phenyl-3-(1,2,4-triazol-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.1382 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.14548 166.4
[M+Na]+ 322.12742 173.7
[M-H]- 298.13092 169.3
[M+NH4]+ 317.17202 176.7
[M+K]+ 338.10136 170.0
[M+H-H2O]+ 282.13546 155.5
[M+HCOO]- 344.13640 184.2
[M+CH3COO]- 358.15205 176.4
[M+Na-2H]- 320.11287 170.9
[M]+ 299.13765 168.4
[M]- 299.13875 168.4
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.