CID 5573

Trimebutine

Structural Information

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

2D Structure

compound 2d structure
5
Annotation Hits

245
References

3953
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

literature stripe

Patent stripe

patents stripe