CID 505007

2-fluoro-n-(2-naphthylmethyl)-3-oxo-n-phenyl-3-pyrimidin-2-yl-propanamide

Structural Information

Molecular Formula
C24H18FN3O2
SMILES
C1=CC=C(C=C1)N(CC2=CC3=CC=CC=C3C=C2)C(=O)C(C(=O)C4=NC=CC=N4)F
InChI
InChI=1S/C24H18FN3O2/c25-21(22(29)23-26-13-6-14-27-23)24(30)28(20-9-2-1-3-10-20)16-17-11-12-18-7-4-5-8-19(18)15-17/h1-15,21H,16H2
InChIKey
PVJXRTUOROOTMN-UHFFFAOYSA-N
Compound name
2-fluoro-N-(naphthalen-2-ylmethyl)-3-oxo-N-phenyl-3-pyrimidin-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.1383 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.14558 194.2
[M+Na]+ 422.12752 198.2
[M-H]- 398.13102 200.8
[M+NH4]+ 417.17212 201.6
[M+K]+ 438.10146 192.8
[M+H-H2O]+ 382.13556 180.7
[M+HCOO]- 444.13650 211.2
[M+CH3COO]- 458.15215 201.9
[M+Na-2H]- 420.11297 197.9
[M]+ 399.13775 192.7
[M]- 399.13885 192.7
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.