CID 93932

58067-54-2

Structural Information

Molecular Formula
C29H34N2O10
SMILES
CCOC(=O)C(C(=O)NC1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)C(C(=O)OCC)C(=O)OCC)C(=O)OCC
InChI
InChI=1S/C29H34N2O10/c1-5-38-26(34)22(27(35)39-6-2)24(32)30-20-13-9-18(10-14-20)17-19-11-15-21(16-12-19)31-25(33)23(28(36)40-7-3)29(37)41-8-4/h9-16,22-23H,5-8,17H2,1-4H3,(H,30,32)(H,31,33)
InChIKey
NLFAPZSBRVCHGP-UHFFFAOYSA-N
Compound name
diethyl 2-[[4-[[4-[(3-ethoxy-2-ethoxycarbonyl-3-oxopropanoyl)amino]phenyl]methyl]phenyl]carbamoyl]propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

570.2214 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.22868 227.3
[M+Na]+ 593.21062 230.6
[M+NH4]+ 588.25522 247.6
[M+K]+ 609.18456 244.1
[M-H]- 569.21412 245.7
[M+Na-2H]- 591.19607 227.1
[M]+ 570.22085 226.0
[M]- 570.22195 226.0
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.