CID 13103186

88384-32-1

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]+ 314.175076 176.5
[M+Na]+ 336.157018 180.7
[M-H]- 312.160524 183.8
[M+NH4]+ 331.201623 190.9
[M+K]+ 352.130958 179.2
[M+H-H2O]+ 296.165060 167.5
[M+HCOO]- 358.166001 199.5
[M+CH3COO]- 372.181651 212.1
[M+Na-2H]- 334.142466 178.3
[M]+ 313.16725142 180.3
[M]- 313.16834858 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.