CID 489132

2-(2,4-difluorophenyl)-3-(dimethylamino)-1-(1,2,4-triazol-1-yl)butan-2-ol

Structural Information

Molecular Formula
C14H18F2N4O
SMILES
CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N(C)C
InChI
InChI=1S/C14H18F2N4O/c1-10(19(2)3)14(21,7-20-9-17-8-18-20)12-5-4-11(15)6-13(12)16/h4-6,8-10,21H,7H2,1-3H3
InChIKey
IVMWYHFZGMQCBX-UHFFFAOYSA-N
Compound name
2-(2,4-difluorophenyl)-3-(dimethylamino)-1-(1,2,4-triazol-1-yl)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.14487 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.15215 166.9
[M+Na]+ 319.13409 174.2
[M-H]- 295.13759 167.5
[M+NH4]+ 314.17869 179.6
[M+K]+ 335.10803 171.0
[M+H-H2O]+ 279.14213 156.1
[M+HCOO]- 341.14307 183.6
[M+CH3COO]- 355.15872 206.7
[M+Na-2H]- 317.11954 168.9
[M]+ 296.14432 165.9
[M]- 296.14542 165.9
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.