CID 3039027

42055-79-8

Structural Information

Molecular Formula
C19H21F3N4O2
SMILES
C1CCCN(CC1)C2=NC(=NC(=C2)CC(=O)NO)C3=CC(=CC=C3)C(F)(F)F
InChI
InChI=1S/C19H21F3N4O2/c20-19(21,22)14-7-5-6-13(10-14)18-23-15(12-17(27)25-28)11-16(24-18)26-8-3-1-2-4-9-26/h5-7,10-11,28H,1-4,8-9,12H2,(H,25,27)
InChIKey
AJIYSQXIXZCWBC-UHFFFAOYSA-N
Compound name
2-[6-(azepan-1-yl)-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]-N-hydroxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.16165 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.16893 187.1
[M+Na]+ 417.15087 190.8
[M-H]- 393.15437 188.3
[M+NH4]+ 412.19547 192.3
[M+K]+ 433.12481 190.2
[M+H-H2O]+ 377.15891 173.3
[M+HCOO]- 439.15985 197.1
[M+CH3COO]- 453.17550 218.9
[M+Na-2H]- 415.13632 188.2
[M]+ 394.16110 176.5
[M]- 394.16220 176.5
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.