CID 489300

4-(2-chlorophenyl)-n-cyclopropyl-6-methyl-2-(2-pyridyl)-1,4-dihydropyrimidine-5-carboxamide

Structural Information

Molecular Formula
C20H19ClN4O
SMILES
CC1=C(C(N=C(N1)C2=CC=CC=N2)C3=CC=CC=C3Cl)C(=O)NC4CC4
InChI
InChI=1S/C20H19ClN4O/c1-12-17(20(26)24-13-9-10-13)18(14-6-2-3-7-15(14)21)25-19(23-12)16-8-4-5-11-22-16/h2-8,11,13,18H,9-10H2,1H3,(H,23,25)(H,24,26)
InChIKey
PXZNJIYCIVCKQA-UHFFFAOYSA-N
Compound name
4-(2-chlorophenyl)-N-cyclopropyl-6-methyl-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.12473 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.13201 187.3
[M+Na]+ 389.11395 196.0
[M-H]- 365.11745 194.3
[M+NH4]+ 384.15855 190.6
[M+K]+ 405.08789 187.0
[M+H-H2O]+ 349.12199 176.5
[M+HCOO]- 411.12293 200.9
[M+CH3COO]- 425.13858 195.3
[M+Na-2H]- 387.09940 189.4
[M]+ 366.12418 187.9
[M]- 366.12528 187.9
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.