CID 3039025

42055-77-6

Structural Information

Molecular Formula
C17H19F3N4O2
SMILES
CCN(CC)C1=NC(=NC(=C1)CC(=O)NO)C2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C17H19F3N4O2/c1-3-24(4-2)14-9-13(10-15(25)23-26)21-16(22-14)11-6-5-7-12(8-11)17(18,19)20/h5-9,26H,3-4,10H2,1-2H3,(H,23,25)
InChIKey
JWLMCTPPCPYPPY-UHFFFAOYSA-N
Compound name
2-[6-(diethylamino)-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]-N-hydroxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.146 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.15328 185.1
[M+Na]+ 391.13522 191.6
[M-H]- 367.13872 185.4
[M+NH4]+ 386.17982 194.1
[M+K]+ 407.10916 187.3
[M+H-H2O]+ 351.14326 172.8
[M+HCOO]- 413.14420 201.6
[M+CH3COO]- 427.15985 222.0
[M+Na-2H]- 389.12067 187.2
[M]+ 368.14545 182.9
[M]- 368.14655 182.9
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.