CID 489268

Methyl 4-(2-methoxyphenyl)-6-methyl-2-(2-pyridyl)-1,4-dihydropyrimidine-5-carboxylate

Structural Information

Molecular Formula
C19H19N3O3
SMILES
CC1=C(C(N=C(N1)C2=CC=CC=N2)C3=CC=CC=C3OC)C(=O)OC
InChI
InChI=1S/C19H19N3O3/c1-12-16(19(23)25-3)17(13-8-4-5-10-15(13)24-2)22-18(21-12)14-9-6-7-11-20-14/h4-11,17H,1-3H3,(H,21,22)
InChIKey
RQORDFMQFRWLME-UHFFFAOYSA-N
Compound name
methyl 4-(2-methoxyphenyl)-6-methyl-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

337.14264 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.14992 181.6
[M+Na]+ 360.13186 189.1
[M-H]- 336.13536 186.1
[M+NH4]+ 355.17646 189.9
[M+K]+ 376.10580 183.7
[M+H-H2O]+ 320.13990 170.2
[M+HCOO]- 382.14084 198.1
[M+CH3COO]- 396.15649 209.3
[M+Na-2H]- 358.11731 184.0
[M]+ 337.14209 182.1
[M]- 337.14319 182.1
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