CID 3039018

42055-70-9

Structural Information

Molecular Formula
C17H17F3N4O2
SMILES
C1CCN(C1)C2=NC(=NC(=C2)CC(=O)NO)C3=CC(=CC=C3)C(F)(F)F
InChI
InChI=1S/C17H17F3N4O2/c18-17(19,20)12-5-3-4-11(8-12)16-21-13(10-15(25)23-26)9-14(22-16)24-6-1-2-7-24/h3-5,8-9,26H,1-2,6-7,10H2,(H,23,25)
InChIKey
NSTFJEORWPCANN-UHFFFAOYSA-N
Compound name
N-hydroxy-2-[6-pyrrolidin-1-yl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.13037 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.13765 182.2
[M+Na]+ 389.11959 188.5
[M-H]- 365.12309 182.9
[M+NH4]+ 384.16419 190.8
[M+K]+ 405.09353 182.5
[M+H-H2O]+ 349.12763 169.5
[M+HCOO]- 411.12857 195.1
[M+CH3COO]- 425.14422 212.9
[M+Na-2H]- 387.10504 182.6
[M]+ 366.12982 175.6
[M]- 366.13092 175.6
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.