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 188.8
[M+Na]+ 410.13226 199.4
[M+NH4]+ 405.17686 192.1
[M+K]+ 426.10620 197.9
[M-H]- 386.13576 190.9
[M+Na-2H]- 408.11771 191.9
[M]+ 387.14249 190.3
[M]- 387.14359 190.3
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.