CID 379720

Nsc664696

Structural Information

Molecular Formula
C16H15F3N4O2
SMILES
C1CN=C(N(C1=O)CCC2=CNC3=CC=CC=C32)NC(=O)C(F)(F)F
InChI
InChI=1S/C16H15F3N4O2/c17-16(18,19)14(25)22-15-20-7-5-13(24)23(15)8-6-10-9-21-12-4-2-1-3-11(10)12/h1-4,9,21H,5-8H2,(H,20,22,25)
InChIKey
UBNZLSBEHXCJSC-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-N-[1-[2-(1H-indol-3-yl)ethyl]-6-oxo-4,5-dihydropyrimidin-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.11472 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.12200 178.8
[M+Na]+ 375.10394 187.0
[M-H]- 351.10744 177.6
[M+NH4]+ 370.14854 189.5
[M+K]+ 391.07788 180.4
[M+H-H2O]+ 335.11198 167.2
[M+HCOO]- 397.11292 192.1
[M+CH3COO]- 411.12857 210.0
[M+Na-2H]- 373.08939 181.2
[M]+ 352.11417 173.8
[M]- 352.11527 173.8
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.