CID 33870

Ethanol, 2,2'-phenethyliminodi-, dicarbanilate, hydrochloride

Structural Information

Molecular Formula
C26H29N3O4
SMILES
C1=CC=C(C=C1)CCN(CCOC(=O)NC2=CC=CC=C2)CCOC(=O)NC3=CC=CC=C3
InChI
InChI=1S/C26H29N3O4/c30-25(27-23-12-6-2-7-13-23)32-20-18-29(17-16-22-10-4-1-5-11-22)19-21-33-26(31)28-24-14-8-3-9-15-24/h1-15H,16-21H2,(H,27,30)(H,28,31)
InChIKey
MLSUGVUZNWKDKV-UHFFFAOYSA-N
Compound name
2-[2-(phenylcarbamoyloxy)ethyl-(2-phenylethyl)amino]ethyl N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.21582 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.22310 208.4
[M+Na]+ 470.20504 207.8
[M-H]- 446.20854 217.2
[M+NH4]+ 465.24964 215.2
[M+K]+ 486.17898 204.9
[M+H-H2O]+ 430.21308 196.1
[M+HCOO]- 492.21402 232.4
[M+CH3COO]- 506.22967 237.7
[M+Na-2H]- 468.19049 211.3
[M]+ 447.21527 210.3
[M]- 447.21637 210.3
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.