CID 5577

Trimethobenzamide

Structural Information

Molecular Formula
C21H28N2O5
SMILES
CN(C)CCOC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C21H28N2O5/c1-23(2)10-11-28-17-8-6-15(7-9-17)14-22-21(24)16-12-18(25-3)20(27-5)19(13-16)26-4/h6-9,12-13H,10-11,14H2,1-5H3,(H,22,24)
InChIKey
FEZBIKUBAYAZIU-UHFFFAOYSA-N
Compound name
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

123
References

10463
Patents

388.19983 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.207106 194.0
[M+Na]+ 411.189048 198.9
[M-H]- 387.192554 201.8
[M+NH4]+ 406.233653 205.6
[M+K]+ 427.162988 198.2
[M+H-H2O]+ 371.197090 184.0
[M+HCOO]- 433.198031 218.6
[M+CH3COO]- 447.213681 230.8
[M+Na-2H]- 409.174496 194.5
[M]+ 388.19928142 202.6
[M]- 388.20037858 202.6
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