CID 34017

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

Structural Information

Molecular Formula
C24H41N3O6
SMILES
CCCNC(=O)OCCN(CCC1=C(C(=CC=C1)OC)OCCC)CCOC(=O)NCCC
InChI
InChI=1S/C24H41N3O6/c1-5-12-25-23(28)32-18-15-27(16-19-33-24(29)26-13-6-2)14-11-20-9-8-10-21(30-4)22(20)31-17-7-3/h8-10H,5-7,11-19H2,1-4H3,(H,25,28)(H,26,29)
InChIKey
YYODHLQGMGHCNI-UHFFFAOYSA-N
Compound name
2-[2-(3-methoxy-2-propoxyphenyl)ethyl-[2-(propylcarbamoyloxy)ethyl]amino]ethyl N-propylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.29953 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.30681 218.1
[M+Na]+ 490.28875 217.8
[M-H]- 466.29225 220.9
[M+NH4]+ 485.33335 225.9
[M+K]+ 506.26269 217.7
[M+H-H2O]+ 450.29679 207.5
[M+HCOO]- 512.29773 240.7
[M+CH3COO]- 526.31338 246.6
[M+Na-2H]- 488.27420 215.5
[M]+ 467.29898 228.6
[M]- 467.30008 228.6
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.