CID 11710908

Chembl206216

Structural Information

Molecular Formula
C19H19ClF2N4O
SMILES
CN(CC1=CC=CC=C1Cl)CC(CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O
InChI
InChI=1S/C19H19ClF2N4O/c1-25(9-14-4-2-3-5-17(14)20)10-19(27,11-26-13-23-12-24-26)16-7-6-15(21)8-18(16)22/h2-8,12-13,27H,9-11H2,1H3
InChIKey
ILYRRCMHJGURAS-UHFFFAOYSA-N
Compound name
1-[(2-chlorophenyl)methyl-methylamino]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

392.12155 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.12883 189.7
[M+Na]+ 415.11077 197.9
[M-H]- 391.11427 193.1
[M+NH4]+ 410.15537 199.0
[M+K]+ 431.08471 190.7
[M+H-H2O]+ 375.11881 177.2
[M+HCOO]- 437.11975 202.2
[M+CH3COO]- 451.13540 221.1
[M+Na-2H]- 413.09622 191.3
[M]+ 392.12100 191.1
[M]- 392.12210 191.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.