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 180.8
[M+Na]+ 384.11660 185.9
[M-H]- 360.12010 185.3
[M+NH4]+ 379.16120 190.2
[M+K]+ 400.09054 179.5
[M+H-H2O]+ 344.12464 176.5
[M+HCOO]- 406.12558 201.0
[M+CH3COO]- 420.14123 210.7
[M+Na-2H]- 382.10205 182.8
[M]+ 361.12683 180.8
[M]- 361.12793 180.8
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.