CID 6447853

102106-19-4

Structural Information

Molecular Formula
C30H28N2O6
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OCC/C=C/C2=CC3=CC=CC=C3C=C2)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC
InChI
InChI=1S/C30H28N2O6/c1-19-26(29(33)37-3)28(24-12-8-13-25(18-24)32(35)36)27(20(2)31-19)30(34)38-16-7-6-9-21-14-15-22-10-4-5-11-23(22)17-21/h4-6,8-15,17-18,28,31H,7,16H2,1-3H3/b9-6+
InChIKey
FTVJQPPBOIJVEH-RMKNXTFCSA-N
Compound name
3-O-methyl 5-O-[(E)-4-naphthalen-2-ylbut-3-enyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

512.19476 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.20204 224.1
[M+Na]+ 535.18398 238.7
[M+NH4]+ 530.22858 228.5
[M+K]+ 551.15792 233.3
[M-H]- 511.18748 229.9
[M+Na-2H]- 533.16943 229.9
[M]+ 512.19421 227.6
[M]- 512.19531 227.6
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.