CID 3043886

Piperidine, 1-(4-((2-(4-chlorophenyl)-6-methyl-4-pyrimidinyl)amino)benzoyl)-

Structural Information

Molecular Formula
C23H23ClN4O
SMILES
CC1=CC(=NC(=N1)C2=CC=C(C=C2)Cl)NC3=CC=C(C=C3)C(=O)N4CCCCC4
InChI
InChI=1S/C23H23ClN4O/c1-16-15-21(27-22(25-16)17-5-9-19(24)10-6-17)26-20-11-7-18(8-12-20)23(29)28-13-3-2-4-14-28/h5-12,15H,2-4,13-14H2,1H3,(H,25,26,27)
InChIKey
IDBQMYCVFRXJHI-UHFFFAOYSA-N
Compound name
[4-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]amino]phenyl]-piperidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.15604 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.16332 199.2
[M+Na]+ 429.14526 204.6
[M-H]- 405.14876 206.4
[M+NH4]+ 424.18986 205.1
[M+K]+ 445.11920 196.2
[M+H-H2O]+ 389.15330 185.8
[M+HCOO]- 451.15424 210.0
[M+CH3COO]- 465.16989 206.2
[M+Na-2H]- 427.13071 200.3
[M]+ 406.15549 196.2
[M]- 406.15659 196.2
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.