CID 3076989

Brn 4277878

Structural Information

Molecular Formula
C22H27N3O6
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)N(C)OC3CCCC3
InChI
InChI=1S/C22H27N3O6/c1-13-18(21(26)24(3)31-17-10-5-6-11-17)20(19(14(2)23-13)22(27)30-4)15-8-7-9-16(12-15)25(28)29/h7-9,12,17,20,23H,5-6,10-11H2,1-4H3
InChIKey
OBVQYAVKYLSLTN-UHFFFAOYSA-N
Compound name
methyl 5-[cyclopentyloxy(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

429.18997 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.19725 199.4
[M+Na]+ 452.17919 208.4
[M+NH4]+ 447.22379 203.4
[M+K]+ 468.15313 209.2
[M-H]- 428.18269 203.4
[M+Na-2H]- 450.16464 202.7
[M]+ 429.18942 201.1
[M]- 429.19052 201.1
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.