CID 3076976

Brn 4272918

Structural Information

Molecular Formula
C17H19N3O6
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)NOC
InChI
InChI=1S/C17H19N3O6/c1-9-13(16(21)19-26-4)15(14(10(2)18-9)17(22)25-3)11-6-5-7-12(8-11)20(23)24/h5-8,15,18H,1-4H3,(H,19,21)
InChIKey
BJVAKXDQHCRCSN-UHFFFAOYSA-N
Compound name
methyl 5-(methoxycarbamoyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.12738 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.13466 181.2
[M+Na]+ 384.11660 192.2
[M+NH4]+ 379.16120 185.1
[M+K]+ 400.09054 191.2
[M-H]- 360.12010 183.6
[M+Na-2H]- 382.10205 184.8
[M]+ 361.12683 182.9
[M]- 361.12793 182.9
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.