CID 489265

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

Structural Information

Molecular Formula
C18H16N4O4
SMILES
CC1=C(C(N=C(N1)C2=CC=CC=N2)C3=CC=CC=C3[N+](=O)[O-])C(=O)OC
InChI
InChI=1S/C18H16N4O4/c1-11-15(18(23)26-2)16(12-7-3-4-9-14(12)22(24)25)21-17(20-11)13-8-5-6-10-19-13/h3-10,16H,1-2H3,(H,20,21)
InChIKey
ZPMGRXPMQUAVDA-UHFFFAOYSA-N
Compound name
methyl 6-methyl-4-(2-nitrophenyl)-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

352.11716 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.12444 181.1
[M+Na]+ 375.10638 186.9
[M-H]- 351.10988 185.9
[M+NH4]+ 370.15098 187.7
[M+K]+ 391.08032 177.6
[M+H-H2O]+ 335.11442 174.2
[M+HCOO]- 397.11536 198.8
[M+CH3COO]- 411.13101 205.6
[M+Na-2H]- 373.09183 186.4
[M]+ 352.11661 178.4
[M]- 352.11771 178.4
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.