CID 34013

Carbamic acid, ethyl-, diester with (2,3-dimethoxyphenethyl)iminodiethanol, maleate

Structural Information

Molecular Formula
C20H33N3O6
SMILES
CCNC(=O)OCCN(CCC1=C(C(=CC=C1)OC)OC)CCOC(=O)NCC
InChI
InChI=1S/C20H33N3O6/c1-5-21-19(24)28-14-12-23(13-15-29-20(25)22-6-2)11-10-16-8-7-9-17(26-3)18(16)27-4/h7-9H,5-6,10-15H2,1-4H3,(H,21,24)(H,22,25)
InChIKey
DMTROEWRTLJUEJ-UHFFFAOYSA-N
Compound name
2-[2-(2,3-dimethoxyphenyl)ethyl-[2-(ethylcarbamoyloxy)ethyl]amino]ethyl N-ethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.23694 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.24422 200.6
[M+Na]+ 434.22616 202.0
[M-H]- 410.22966 204.1
[M+NH4]+ 429.27076 210.7
[M+K]+ 450.20010 202.7
[M+H-H2O]+ 394.23420 190.7
[M+HCOO]- 456.23514 224.6
[M+CH3COO]- 470.25079 235.0
[M+Na-2H]- 432.21161 199.8
[M]+ 411.23639 209.6
[M]- 411.23749 209.6
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.