CID 3039019

42055-71-0

Structural Information

Molecular Formula
C17H17F3N4O3
SMILES
C1COCCN1C2=NC(=NC(=C2)CC(=O)NO)C3=CC(=CC=C3)C(F)(F)F
InChI
InChI=1S/C17H17F3N4O3/c18-17(19,20)12-3-1-2-11(8-12)16-21-13(10-15(25)23-26)9-14(22-16)24-4-6-27-7-5-24/h1-3,8-9,26H,4-7,10H2,(H,23,25)
InChIKey
YVVLHAMAHVXOGD-UHFFFAOYSA-N
Compound name
N-hydroxy-2-[6-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.12527 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.13255 188.6
[M+Na]+ 405.11449 194.1
[M-H]- 381.11799 189.2
[M+NH4]+ 400.15909 193.1
[M+K]+ 421.08843 189.5
[M+H-H2O]+ 365.12253 174.8
[M+HCOO]- 427.12347 198.3
[M+CH3COO]- 441.13912 216.0
[M+Na-2H]- 403.09994 191.0
[M]+ 382.12472 181.6
[M]- 382.12582 181.6
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.