CID 135524738

4(3h)-pyrimidinone, 6-[(2,6-difluorophenyl)methyl]-5-methyl-2-(1-naphthalenylamino)-

Structural Information

Molecular Formula
C22H17F2N3O
SMILES
CC1=C(N=C(NC1=O)NC2=CC=CC3=CC=CC=C32)CC4=C(C=CC=C4F)F
InChI
InChI=1S/C22H17F2N3O/c1-13-20(12-16-17(23)9-5-10-18(16)24)26-22(27-21(13)28)25-19-11-4-7-14-6-2-3-8-15(14)19/h2-11H,12H2,1H3,(H2,25,26,27,28)
InChIKey
HOKUWFIOEUVASU-UHFFFAOYSA-N
Compound name
4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(naphthalen-1-ylamino)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

377.13397 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.14125 191.2
[M+Na]+ 400.12319 201.4
[M-H]- 376.12669 195.8
[M+NH4]+ 395.16779 200.4
[M+K]+ 416.09713 191.9
[M+H-H2O]+ 360.13123 178.0
[M+HCOO]- 422.13217 208.4
[M+CH3COO]- 436.14782 200.1
[M+Na-2H]- 398.10864 194.7
[M]+ 377.13342 188.5
[M]- 377.13452 188.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.