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 193.4
[M+Na]+ 410.19378 204.6
[M+NH4]+ 405.23838 198.8
[M+K]+ 426.16772 199.3
[M-H]- 386.19728 196.3
[M+Na-2H]- 408.17923 199.6
[M]+ 387.20401 195.8
[M]- 387.20511 195.8
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.