CID 52092

N-(beta-dimethylaminoethyl)-3,4,5-trimethoxybenzamide hydrochloride

Structural Information

Molecular Formula
C14H22N2O4
SMILES
CN(C)CCNC(=O)C1=CC(=C(C(=C1)OC)OC)OC
InChI
InChI=1S/C14H22N2O4/c1-16(2)7-6-15-14(17)10-8-11(18-3)13(20-5)12(9-10)19-4/h8-9H,6-7H2,1-5H3,(H,15,17)
InChIKey
MULYKOBTDUQNCP-UHFFFAOYSA-N
Compound name
N-[2-(dimethylamino)ethyl]-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

282.15796 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.16524 165.4
[M+Na]+ 305.14718 171.6
[M-H]- 281.15068 170.6
[M+NH4]+ 300.19178 181.8
[M+K]+ 321.12112 172.1
[M+H-H2O]+ 265.15522 157.8
[M+HCOO]- 327.15616 190.9
[M+CH3COO]- 341.17181 210.9
[M+Na-2H]- 303.13263 167.5
[M]+ 282.15741 172.4
[M]- 282.15851 172.4
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