CID 3076979

Brn 4274300

Structural Information

Molecular Formula
C19H21N3O6
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)NOCC=C
InChI
InChI=1S/C19H21N3O6/c1-5-9-28-21-18(23)15-11(2)20-12(3)16(19(24)27-4)17(15)13-7-6-8-14(10-13)22(25)26/h5-8,10,17,20H,1,9H2,2-4H3,(H,21,23)
InChIKey
UXOXUOKEULANPM-UHFFFAOYSA-N
Compound name
methyl 2,6-dimethyl-4-(3-nitrophenyl)-5-(prop-2-enoxycarbamoyl)-1,4-dihydropyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.14304 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.15032 189.0
[M+Na]+ 410.13226 193.5
[M-H]- 386.13576 193.1
[M+NH4]+ 405.17686 197.2
[M+K]+ 426.10620 186.0
[M+H-H2O]+ 370.14030 184.4
[M+HCOO]- 432.14124 208.7
[M+CH3COO]- 446.15689 215.8
[M+Na-2H]- 408.11771 190.0
[M]+ 387.14249 188.9
[M]- 387.14359 188.9
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.