CID 26169

Phenyl n-(2-diethylaminoethyl)carbanilate hydrochloride

Structural Information

Molecular Formula
C19H24N2O2
SMILES
CCN(CC)CCN(C1=CC=CC=C1)C(=O)OC2=CC=CC=C2
InChI
InChI=1S/C19H24N2O2/c1-3-20(4-2)15-16-21(17-11-7-5-8-12-17)19(22)23-18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3
InChIKey
CSQOOURBIGCYKG-UHFFFAOYSA-N
Compound name
phenyl N-[2-(diethylamino)ethyl]-N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.18378 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.19106 177.5
[M+Na]+ 335.17300 180.4
[M-H]- 311.17650 185.7
[M+NH4]+ 330.21760 192.0
[M+K]+ 351.14694 179.1
[M+H-H2O]+ 295.18104 167.7
[M+HCOO]- 357.18198 202.8
[M+CH3COO]- 371.19763 216.4
[M+Na-2H]- 333.15845 180.8
[M]+ 312.18323 180.7
[M]- 312.18433 180.7
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.