CID 11675217

Chembl203190

Structural Information

Molecular Formula
C19H19F3N4O
SMILES
CN(CC1=CC=CC=C1F)CC(CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O
InChI
InChI=1S/C19H19F3N4O/c1-25(9-14-4-2-3-5-17(14)21)10-19(27,11-26-13-23-12-24-26)16-7-6-15(20)8-18(16)22/h2-8,12-13,27H,9-11H2,1H3
InChIKey
RBPUNCOZVARSRU-UHFFFAOYSA-N
Compound name
2-(2,4-difluorophenyl)-1-[(2-fluorophenyl)methyl-methylamino]-3-(1,2,4-triazol-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

376.1511 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.15838 186.4
[M+Na]+ 399.14032 193.9
[M-H]- 375.14382 188.7
[M+NH4]+ 394.18492 195.4
[M+K]+ 415.11426 187.8
[M+H-H2O]+ 359.14836 173.0
[M+HCOO]- 421.14930 202.5
[M+CH3COO]- 435.16495 220.3
[M+Na-2H]- 397.12577 187.9
[M]+ 376.15055 184.5
[M]- 376.15165 184.5
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.