CID 3076986

Brn 4274171

Structural Information

Molecular Formula
C18H21N3O6
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)N(C)OC
InChI
InChI=1S/C18H21N3O6/c1-10-14(17(22)20(3)27-5)16(15(11(2)19-10)18(23)26-4)12-7-6-8-13(9-12)21(24)25/h6-9,16,19H,1-5H3
InChIKey
DSPRWQBESJGGTL-UHFFFAOYSA-N
Compound name
methyl 5-[methoxy(methyl)carbamoyl]-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

375.14304 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.15032 184.6
[M+Na]+ 398.13226 189.4
[M-H]- 374.13576 190.3
[M+NH4]+ 393.17686 194.0
[M+K]+ 414.10620 184.2
[M+H-H2O]+ 358.14030 180.1
[M+HCOO]- 420.14124 204.9
[M+CH3COO]- 434.15689 216.9
[M+Na-2H]- 396.11771 185.5
[M]+ 375.14249 186.1
[M]- 375.14359 186.1
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.