CID 489131

2-(2,4-difluorophenyl)-3-piperidyl-1-(1,2,4-triazolyl)butan-2-ol

Structural Information

Molecular Formula
C17H22F2N4O
SMILES
CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3CCCCC3
InChI
InChI=1S/C17H22F2N4O/c1-13(22-7-3-2-4-8-22)17(24,10-23-12-20-11-21-23)15-6-5-14(18)9-16(15)19/h5-6,9,11-13,24H,2-4,7-8,10H2,1H3
InChIKey
YYUZXHKBOFULTQ-UHFFFAOYSA-N
Compound name
2-(2,4-difluorophenyl)-3-piperidin-1-yl-1-(1,2,4-triazol-1-yl)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

336.17618 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.18346 179.6
[M+Na]+ 359.16540 184.5
[M-H]- 335.16890 179.4
[M+NH4]+ 354.21000 188.1
[M+K]+ 375.13934 178.9
[M+H-H2O]+ 319.17344 167.0
[M+HCOO]- 381.17438 189.3
[M+CH3COO]- 395.19003 207.1
[M+Na-2H]- 357.15085 179.2
[M]+ 336.17563 172.8
[M]- 336.17673 172.8
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.