CID 6482147

(1r,2s)-2-(2,4-dichlorophenyl)-1-ethoxy-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol

Structural Information

Molecular Formula
C15H16Cl2N6O2
SMILES
CCO[C@H]([C@@](CN1C=NC=N1)(C2=C(C=C(C=C2)Cl)Cl)O)N3C=NC=N3
InChI
InChI=1S/C15H16Cl2N6O2/c1-2-25-14(23-10-19-8-21-23)15(24,6-22-9-18-7-20-22)12-4-3-11(16)5-13(12)17/h3-5,7-10,14,24H,2,6H2,1H3/t14-,15-/m1/s1
InChIKey
UHIQVANWWNNPJT-HUUCEWRRSA-N
Compound name
(1R,2S)-2-(2,4-dichlorophenyl)-1-ethoxy-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.07117 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.07845 181.6
[M+Na]+ 405.06039 191.0
[M-H]- 381.06389 182.8
[M+NH4]+ 400.10499 188.8
[M+K]+ 421.03433 185.0
[M+H-H2O]+ 365.06843 169.5
[M+HCOO]- 427.06937 187.7
[M+CH3COO]- 441.08502 190.0
[M+Na-2H]- 403.04584 183.1
[M]+ 382.07062 187.1
[M]- 382.07172 187.1
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.