CID 60449

(o-ethoxyphenyl)phenylcarbamic acid 2-(diethylamino)ethyl ester

Structural Information

Molecular Formula
C21H28N2O3
SMILES
CCN(CC)CCOC(=O)N(C1=CC=CC=C1)C2=CC=CC=C2OCC
InChI
InChI=1S/C21H28N2O3/c1-4-22(5-2)16-17-26-21(24)23(18-12-8-7-9-13-18)19-14-10-11-15-20(19)25-6-3/h7-15H,4-6,16-17H2,1-3H3
InChIKey
JCCCYOZZRDBQGE-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl N-(2-ethoxyphenyl)-N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.21 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.21728 189.6
[M+Na]+ 379.19922 192.3
[M-H]- 355.20272 197.8
[M+NH4]+ 374.24382 202.5
[M+K]+ 395.17316 191.3
[M+H-H2O]+ 339.20726 179.4
[M+HCOO]- 401.20820 214.4
[M+CH3COO]- 415.22385 225.5
[M+Na-2H]- 377.18467 191.1
[M]+ 356.20945 195.2
[M]- 356.21055 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.