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]+ 380.25438 196.3
[M+Na]+ 402.23632 196.3
[M-H]- 378.23982 199.1
[M+NH4]+ 397.28092 207.3
[M+K]+ 418.21026 195.4
[M+H-H2O]+ 362.24436 186.3
[M+HCOO]- 424.24530 219.9
[M+CH3COO]- 438.26095 228.2
[M+Na-2H]- 400.22177 196.5
[M]+ 379.24655 201.7
[M]- 379.24765 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.