CID 3070975

N,n-dimethyl-2-(3,4-dibenzoyloxyphenyl)-1-(4-tolyl)ethylamine hydrochloride

Structural Information

Molecular Formula
C31H29NO4
SMILES
CC1=CC=C(C=C1)C(CC2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)N(C)C
InChI
InChI=1S/C31H29NO4/c1-22-14-17-24(18-15-22)27(32(2)3)20-23-16-19-28(35-30(33)25-10-6-4-7-11-25)29(21-23)36-31(34)26-12-8-5-9-13-26/h4-19,21,27H,20H2,1-3H3
InChIKey
FNGMNZGXMKYAEV-UHFFFAOYSA-N
Compound name
[2-benzoyloxy-4-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.20966 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.21694 220.4
[M+Na]+ 502.19888 222.7
[M-H]- 478.20238 233.0
[M+NH4]+ 497.24348 226.4
[M+K]+ 518.17282 219.1
[M+H-H2O]+ 462.20692 207.6
[M+HCOO]- 524.20786 240.4
[M+CH3COO]- 538.22351 243.7
[M+Na-2H]- 500.18433 218.3
[M]+ 479.20911 223.1
[M]- 479.21021 223.1
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

patents stripe