CID 513487

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

Structural Information

Molecular Formula
C20H19F2N5O
SMILES
CCC1=NC2=CC=CC=C2N1CC(CN3C=NC=N3)(C4=C(C=C(C=C4)F)F)O
InChI
InChI=1S/C20H19F2N5O/c1-2-19-25-17-5-3-4-6-18(17)27(19)11-20(28,10-26-13-23-12-24-26)15-8-7-14(21)9-16(15)22/h3-9,12-13,28H,2,10-11H2,1H3
InChIKey
LNPAJAFFAUBQMB-UHFFFAOYSA-N
Compound name
2-(2,4-difluorophenyl)-1-(2-ethylbenzimidazol-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

383.15576 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.16304 190.7
[M+Na]+ 406.14498 201.4
[M-H]- 382.14848 192.8
[M+NH4]+ 401.18958 199.6
[M+K]+ 422.11892 193.5
[M+H-H2O]+ 366.15302 178.3
[M+HCOO]- 428.15396 205.1
[M+CH3COO]- 442.16961 199.5
[M+Na-2H]- 404.13043 191.9
[M]+ 383.15521 192.2
[M]- 383.15631 192.2
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.