CID 513503

2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)-3-[6-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol

Structural Information

Molecular Formula
C19H14F5N5O
SMILES
C1=CC2=C(C=C1C(F)(F)F)N(C=N2)CC(CN3C=NC=N3)(C4=C(C=C(C=C4)F)F)O
InChI
InChI=1S/C19H14F5N5O/c20-13-2-3-14(15(21)6-13)18(30,8-29-10-25-9-27-29)7-28-11-26-16-4-1-12(5-17(16)28)19(22,23)24/h1-6,9-11,30H,7-8H2
InChIKey
GVWQWEDYAWCORO-UHFFFAOYSA-N
Compound name
2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)-3-[6-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.11185 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.11913 195.1
[M+Na]+ 446.10107 206.7
[M-H]- 422.10457 193.9
[M+NH4]+ 441.14567 202.3
[M+K]+ 462.07501 198.2
[M+H-H2O]+ 406.10911 180.9
[M+HCOO]- 468.11005 205.0
[M+CH3COO]- 482.12570 202.7
[M+Na-2H]- 444.08652 196.3
[M]+ 423.11130 192.6
[M]- 423.11240 192.6
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.