CID 3039028

42055-80-1

Structural Information

Molecular Formula
C18H19F3N4O2
SMILES
C1CCN(CC1)C2=NC(=NC(=C2)CC(=O)NO)C3=CC(=CC=C3)C(F)(F)F
InChI
InChI=1S/C18H19F3N4O2/c19-18(20,21)13-6-4-5-12(9-13)17-22-14(11-16(26)24-27)10-15(23-17)25-7-2-1-3-8-25/h4-6,9-10,27H,1-3,7-8,11H2,(H,24,26)
InChIKey
KMCPBXWINUEVMA-UHFFFAOYSA-N
Compound name
N-hydroxy-2-[6-piperidin-1-yl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.146 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.15328 188.7
[M+Na]+ 403.13522 193.7
[M-H]- 379.13872 188.4
[M+NH4]+ 398.17982 194.6
[M+K]+ 419.10916 187.3
[M+H-H2O]+ 363.14326 175.0
[M+HCOO]- 425.14420 198.8
[M+CH3COO]- 439.15985 216.5
[M+Na-2H]- 401.12067 190.2
[M]+ 380.14545 180.1
[M]- 380.14655 180.1
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.