CID 513504

2-(2,4-difluorophenyl)-1-(6-methoxybenzimidazol-1-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol

Structural Information

Molecular Formula
C19H17F2N5O2
SMILES
COC1=CC2=C(C=C1)N=CN2CC(CN3C=NC=N3)(C4=C(C=C(C=C4)F)F)O
InChI
InChI=1S/C19H17F2N5O2/c1-28-14-3-5-17-18(7-14)25(12-23-17)8-19(27,9-26-11-22-10-24-26)15-4-2-13(20)6-16(15)21/h2-7,10-12,27H,8-9H2,1H3
InChIKey
WSYRZALYDALHJL-UHFFFAOYSA-N
Compound name
2-(2,4-difluorophenyl)-1-(6-methoxybenzimidazol-1-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.13504 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.14232 188.9
[M+Na]+ 408.12426 199.7
[M-H]- 384.12776 191.2
[M+NH4]+ 403.16886 197.5
[M+K]+ 424.09820 192.7
[M+H-H2O]+ 368.13230 176.5
[M+HCOO]- 430.13324 203.8
[M+CH3COO]- 444.14889 197.9
[M+Na-2H]- 406.10971 190.8
[M]+ 385.13449 191.4
[M]- 385.13559 191.4
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.