CID 3076981

133147-11-2

Structural Information

Molecular Formula
C23H23N3O6
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)NOCC3=CC=CC=C3
InChI
InChI=1S/C23H23N3O6/c1-14-19(22(27)25-32-13-16-8-5-4-6-9-16)21(20(15(2)24-14)23(28)31-3)17-10-7-11-18(12-17)26(29)30/h4-12,21,24H,13H2,1-3H3,(H,25,27)
InChIKey
DMBRYGUIEINBIJ-UHFFFAOYSA-N
Compound name
methyl 2,6-dimethyl-4-(3-nitrophenyl)-5-(phenylmethoxycarbamoyl)-1,4-dihydropyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.1587 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.16598 202.7
[M+Na]+ 460.14792 205.6
[M-H]- 436.15142 209.5
[M+NH4]+ 455.19252 208.0
[M+K]+ 476.12186 197.8
[M+H-H2O]+ 420.15596 196.1
[M+HCOO]- 482.15690 221.7
[M+CH3COO]- 496.17255 224.8
[M+Na-2H]- 458.13337 204.1
[M]+ 437.15815 201.9
[M]- 437.15925 201.9
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.