CID 57668

100263-46-5

Structural Information

Molecular Formula
C21H28N2O3
SMILES
CCN(CC)CCOC(=O)N(C1=CC=CC=C1)C2=CC=C(C=C2)OCC
InChI
InChI=1S/C21H28N2O3/c1-4-22(5-2)16-17-26-21(24)23(18-10-8-7-9-11-18)19-12-14-20(15-13-19)25-6-3/h7-15H,4-6,16-17H2,1-3H3
InChIKey
VIQQFVZOMRVGIB-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl N-(4-ethoxyphenyl)-N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.21 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.217276 189.6
[M+Na]+ 379.199218 192.3
[M-H]- 355.202724 197.8
[M+NH4]+ 374.243823 202.5
[M+K]+ 395.173158 191.3
[M+H-H2O]+ 339.207260 179.4
[M+HCOO]- 401.208201 214.4
[M+CH3COO]- 415.223851 225.5
[M+Na-2H]- 377.184666 191.1
[M]+ 356.20945142 195.2
[M]- 356.21054858 195.2
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.