CID 33490

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

Structural Information

Molecular Formula
C24H41N3O6
SMILES
CCCCNC(=O)OCCN(CCC1=C(C(=CC=C1)OC)OC)CCOC(=O)NCCCC
InChI
InChI=1S/C24H41N3O6/c1-5-7-13-25-23(28)32-18-16-27(17-19-33-24(29)26-14-8-6-2)15-12-20-10-9-11-21(30-3)22(20)31-4/h9-11H,5-8,12-19H2,1-4H3,(H,25,28)(H,26,29)
InChIKey
IHRXHTSCANFHII-UHFFFAOYSA-N
Compound name
2-[2-(butylcarbamoyloxy)ethyl-[2-(2,3-dimethoxyphenyl)ethyl]amino]ethyl N-butylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.29953 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.30681 217.8
[M+Na]+ 490.28875 222.1
[M+NH4]+ 485.33335 240.0
[M+K]+ 506.26269 217.4
[M-H]- 466.29225 217.5
[M+Na-2H]- 488.27420 217.8
[M]+ 467.29898 217.6
[M]- 467.30008 217.6
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.