CID 6482145

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

Structural Information

Molecular Formula
C14H14Cl2N6O2
SMILES
CO[C@H]([C@@](CN1C=NC=N1)(C2=C(C=C(C=C2)Cl)Cl)O)N3C=NC=N3
InChI
InChI=1S/C14H14Cl2N6O2/c1-24-13(22-9-18-7-20-22)14(23,5-21-8-17-6-19-21)11-3-2-10(15)4-12(11)16/h2-4,6-9,13,23H,5H2,1H3/t13-,14-/m1/s1
InChIKey
KRJOPSUXSZWBCB-ZIAGYGMSSA-N
Compound name
(1R,2S)-2-(2,4-dichlorophenyl)-1-methoxy-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

368.05554 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.06282 177.4
[M+Na]+ 391.04476 187.3
[M-H]- 367.04826 178.8
[M+NH4]+ 386.08936 185.2
[M+K]+ 407.01870 181.5
[M+H-H2O]+ 351.05280 165.5
[M+HCOO]- 413.05374 183.8
[M+CH3COO]- 427.06939 186.2
[M+Na-2H]- 389.03021 179.4
[M]+ 368.05499 182.6
[M]- 368.05609 182.6
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.