CID 33964

Carbamic acid, ethyl, diester with phenethyliminodiethanol, hydrochloride

Structural Information

Molecular Formula
C18H29N3O4
SMILES
CCNC(=O)OCCN(CCC1=CC=CC=C1)CCOC(=O)NCC
InChI
InChI=1S/C18H29N3O4/c1-3-19-17(22)24-14-12-21(13-15-25-18(23)20-4-2)11-10-16-8-6-5-7-9-16/h5-9H,3-4,10-15H2,1-2H3,(H,19,22)(H,20,23)
InChIKey
KCWZDZLDUMURQB-UHFFFAOYSA-N
Compound name
2-[2-(ethylcarbamoyloxy)ethyl-(2-phenylethyl)amino]ethyl N-ethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.21582 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.22310 187.5
[M+Na]+ 374.20504 193.3
[M+NH4]+ 369.24964 191.6
[M+K]+ 390.17898 188.4
[M-H]- 350.20854 188.4
[M+Na-2H]- 372.19049 190.2
[M]+ 351.21527 187.9
[M]- 351.21637 187.9
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.