CID 34070

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

Structural Information

Molecular Formula
C22H37N3O6
SMILES
CCCNC(=O)OCCN(CCC1=C(C(=CC=C1)OC)OC)CCOC(=O)NCCC
InChI
InChI=1S/C22H37N3O6/c1-5-11-23-21(26)30-16-14-25(15-17-31-22(27)24-12-6-2)13-10-18-8-7-9-19(28-3)20(18)29-4/h7-9H,5-6,10-17H2,1-4H3,(H,23,26)(H,24,27)
InChIKey
VQDLZWRXNUNXQP-UHFFFAOYSA-N
Compound name
2-[2-(2,3-dimethoxyphenyl)ethyl-[2-(propylcarbamoyloxy)ethyl]amino]ethyl N-propylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.26825 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.27553 209.4
[M+Na]+ 462.25747 210.0
[M-H]- 438.26097 212.5
[M+NH4]+ 457.30207 218.4
[M+K]+ 478.23141 210.2
[M+H-H2O]+ 422.26551 199.2
[M+HCOO]- 484.26645 232.7
[M+CH3COO]- 498.28210 240.8
[M+Na-2H]- 460.24292 207.7
[M]+ 439.26770 219.1
[M]- 439.26880 219.1
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.