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]+ 283.165236 165.4
[M+Na]+ 305.147178 171.6
[M-H]- 281.150684 170.6
[M+NH4]+ 300.191783 181.8
[M+K]+ 321.121118 172.1
[M+H-H2O]+ 265.155220 157.8
[M+HCOO]- 327.156161 190.9
[M+CH3COO]- 341.171811 210.9
[M+Na-2H]- 303.132626 167.5
[M]+ 282.15741142 172.4
[M]- 282.15850858 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