CID 6479274

2-(2,4-difluorophenyl)-1-[2-[(e)-prop-1-enyl]benzimidazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol

Structural Information

Molecular Formula
C21H19F2N5O
SMILES
C/C=C/C1=NC2=CC=CC=C2N1CC(CN3C=NC=N3)(C4=C(C=C(C=C4)F)F)O
InChI
InChI=1S/C21H19F2N5O/c1-2-5-20-26-18-6-3-4-7-19(18)28(20)12-21(29,11-27-14-24-13-25-27)16-9-8-15(22)10-17(16)23/h2-10,13-14,29H,11-12H2,1H3/b5-2+
InChIKey
ILPANAZRVKTGHY-GORDUTHDSA-N
Compound name
2-(2,4-difluorophenyl)-1-[2-[(E)-prop-1-enyl]benzimidazol-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

395.15576 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.16304 195.0
[M+Na]+ 418.14498 205.6
[M-H]- 394.14848 196.9
[M+NH4]+ 413.18958 203.4
[M+K]+ 434.11892 196.9
[M+H-H2O]+ 378.15302 182.4
[M+HCOO]- 440.15396 209.2
[M+CH3COO]- 454.16961 203.4
[M+Na-2H]- 416.13043 195.6
[M]+ 395.15521 196.0
[M]- 395.15631 196.0
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.