CID 13103186

Carbonic acid, (alpha-(2-(dimethylamino)ethyl)-p-methylbenzyl) phenyl ester, hydrochloride

Structural Information

Molecular Formula
C19H23NO3
SMILES
CC1=CC=C(C=C1)C(CCN(C)C)OC(=O)OC2=CC=CC=C2
InChI
InChI=1S/C19H23NO3/c1-15-9-11-16(12-10-15)18(13-14-20(2)3)23-19(21)22-17-7-5-4-6-8-17/h4-12,18H,13-14H2,1-3H3
InChIKey
JLIOAORNNIDMGP-UHFFFAOYSA-N
Compound name
[3-(dimethylamino)-1-(4-methylphenyl)propyl] phenyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1678 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.17508 176.5
[M+Na]+ 336.15702 180.7
[M-H]- 312.16052 183.8
[M+NH4]+ 331.20162 190.9
[M+K]+ 352.13096 179.2
[M+H-H2O]+ 296.16506 167.5
[M+HCOO]- 358.16600 199.5
[M+CH3COO]- 372.18165 212.1
[M+Na-2H]- 334.14247 178.3
[M]+ 313.16725 180.3
[M]- 313.16835 180.3
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.