CID 129318537

92414-09-0

Structural Information

Molecular Formula
C22H29NO5
SMILES
CCC(CN(C)C)(C1=CC=CC=C1)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C22H29NO5/c1-7-22(15-23(2)3,17-11-9-8-10-12-17)28-21(24)16-13-18(25-4)20(27-6)19(14-16)26-5/h8-14H,7,15H2,1-6H3
InChIKey
SICYQWJKPPIMGO-UHFFFAOYSA-N
Compound name
[1-(dimethylamino)-2-phenylbutan-2-yl] 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.20456 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.21184 194.1
[M+Na]+ 410.19378 199.0
[M-H]- 386.19728 201.8
[M+NH4]+ 405.23838 206.0
[M+K]+ 426.16772 198.6
[M+H-H2O]+ 370.20182 185.0
[M+HCOO]- 432.20276 215.8
[M+CH3COO]- 446.21841 227.8
[M+Na-2H]- 408.17923 195.5
[M]+ 387.20401 202.9
[M]- 387.20511 202.9
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.