CID 491977

Bdbm2819

Structural Information

Molecular Formula
C29H35NO8
SMILES
CCOC(=O)N1CCC(=C(C2=CC(=C(C(=C2)C)OC)C(=O)OC)C3=CC(=C(C(=C3)C)OC)C(=O)OC)CC1
InChI
InChI=1S/C29H35NO8/c1-8-38-29(33)30-11-9-19(10-12-30)24(20-13-17(2)25(34-4)22(15-20)27(31)36-6)21-14-18(3)26(35-5)23(16-21)28(32)37-7/h13-16H,8-12H2,1-7H3
InChIKey
UZNCYEYEMVSUKI-UHFFFAOYSA-N
Compound name
ethyl 4-[bis(4-methoxy-3-methoxycarbonyl-5-methylphenyl)methylidene]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

525.23627 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 526.24355 223.6
[M+Na]+ 548.22549 226.8
[M-H]- 524.22899 231.1
[M+NH4]+ 543.27009 227.6
[M+K]+ 564.19943 226.0
[M+H-H2O]+ 508.23353 212.7
[M+HCOO]- 570.23447 236.5
[M+CH3COO]- 584.25012 249.2
[M+Na-2H]- 546.21094 215.4
[M]+ 525.23572 230.0
[M]- 525.23682 230.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.