CID 3065667

4(1h)-pyrimidinone, 2-((1-(1-((4-fluorophenyl)methyl)-1h-benzimidazol-2-yl)-4-piperidinyl)amino)-

Structural Information

Molecular Formula
C23H23FN6O
SMILES
C1CN(CCC1NC2=NC=CC(=O)N2)C3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)F
InChI
InChI=1S/C23H23FN6O/c24-17-7-5-16(6-8-17)15-30-20-4-2-1-3-19(20)27-23(30)29-13-10-18(11-14-29)26-22-25-12-9-21(31)28-22/h1-9,12,18H,10-11,13-15H2,(H2,25,26,28,31)
InChIKey
FCXPFBHMKLKEDM-UHFFFAOYSA-N
Compound name
2-[[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]amino]-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

418.19174 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.19902 200.1
[M+Na]+ 441.18096 207.7
[M-H]- 417.18446 204.7
[M+NH4]+ 436.22556 204.3
[M+K]+ 457.15490 197.5
[M+H-H2O]+ 401.18900 185.4
[M+HCOO]- 463.18994 213.1
[M+CH3COO]- 477.20559 206.6
[M+Na-2H]- 439.16641 201.9
[M]+ 418.19119 195.3
[M]- 418.19229 195.3
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

patents stripe