CID 48487

66941-30-8

Structural Information

Molecular Formula
C26H31N2O4
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=C(C=C2)[N+](C)(C)CC3=CC=CC=C3)C(=O)OC
InChI
InChI=1S/C26H30N2O4/c1-17-22(25(29)31-5)24(23(18(2)27-17)26(30)32-6)20-12-14-21(15-13-20)28(3,4)16-19-10-8-7-9-11-19/h7-15,24H,16H2,1-6H3/p+1
InChIKey
MKROXEWXWQOIQF-UHFFFAOYSA-O
Compound name
benzyl-[4-[3,5-bis(methoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]phenyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.2284 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.23568 208.6
[M+Na]+ 458.21762 213.1
[M-H]- 434.22112 216.9
[M+NH4]+ 453.26222 216.1
[M+K]+ 474.19156 203.5
[M+H-H2O]+ 418.22566 200.7
[M+HCOO]- 480.22660 225.1
[M+CH3COO]- 494.24225 227.7
[M+Na-2H]- 456.20307 210.1
[M]+ 435.22785 209.9
[M]- 435.22895 209.9
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.