CID 513486

Schembl5398048

Structural Information

Molecular Formula
C19H17F2N5O
SMILES
CC1=NC2=CC=CC=C2N1CC(CN3C=NC=N3)(C4=C(C=C(C=C4)F)F)O
InChI
InChI=1S/C19H17F2N5O/c1-13-24-17-4-2-3-5-18(17)26(13)10-19(27,9-25-12-22-11-23-25)15-7-6-14(20)8-16(15)21/h2-8,11-12,27H,9-10H2,1H3
InChIKey
HLLCTGMHRJMCND-UHFFFAOYSA-N
Compound name
2-(2,4-difluorophenyl)-1-(2-methylbenzimidazol-1-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

369.1401 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.14738 186.4
[M+Na]+ 392.12932 197.6
[M-H]- 368.13282 188.7
[M+NH4]+ 387.17392 195.9
[M+K]+ 408.10326 189.9
[M+H-H2O]+ 352.13736 174.2
[M+HCOO]- 414.13830 201.2
[M+CH3COO]- 428.15395 195.6
[M+Na-2H]- 390.11477 188.1
[M]+ 369.13955 187.6
[M]- 369.14065 187.6
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

patents stripe