CID 33880

Carbamic acid, propyl, diester with phenethyliminodiethanol, hydrochloride

Structural Information

Molecular Formula
C20H33N3O4
SMILES
CCCNC(=O)OCCN(CCC1=CC=CC=C1)CCOC(=O)NCCC
InChI
InChI=1S/C20H33N3O4/c1-3-11-21-19(24)26-16-14-23(13-10-18-8-6-5-7-9-18)15-17-27-20(25)22-12-4-2/h5-9H,3-4,10-17H2,1-2H3,(H,21,24)(H,22,25)
InChIKey
YJPCKDGRBFOCPK-UHFFFAOYSA-N
Compound name
2-[2-phenylethyl-[2-(propylcarbamoyloxy)ethyl]amino]ethyl N-propylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.2471 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.254376 196.3
[M+Na]+ 402.236318 196.3
[M-H]- 378.239824 199.1
[M+NH4]+ 397.280923 207.3
[M+K]+ 418.210258 195.4
[M+H-H2O]+ 362.244360 186.3
[M+HCOO]- 424.245301 219.9
[M+CH3COO]- 438.260951 228.2
[M+Na-2H]- 400.221766 196.5
[M]+ 379.24655142 201.7
[M]- 379.24764858 201.7
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.