CID 3056227

N-(3-((4-chlorophenyl)methylamino)-2-hydroxypropyl)-3,4,5-trimethoxybenzamide

Structural Information

Molecular Formula
C20H25ClN2O5
SMILES
CN(CC(CNC(=O)C1=CC(=C(C(=C1)OC)OC)OC)O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C20H25ClN2O5/c1-23(15-7-5-14(21)6-8-15)12-16(24)11-22-20(25)13-9-17(26-2)19(28-4)18(10-13)27-3/h5-10,16,24H,11-12H2,1-4H3,(H,22,25)
InChIKey
GQKNAZXILVEHDR-UHFFFAOYSA-N
Compound name
N-[3-(4-chloro-N-methylanilino)-2-hydroxypropyl]-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

408.1452 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.152476 195.1
[M+Na]+ 431.134418 200.5
[M-H]- 407.137924 201.8
[M+NH4]+ 426.179023 206.1
[M+K]+ 447.108358 198.2
[M+H-H2O]+ 391.142460 186.9
[M+HCOO]- 453.143401 213.2
[M+CH3COO]- 467.159051 230.0
[M+Na-2H]- 429.119866 194.2
[M]+ 408.14465142 203.4
[M]- 408.14574858 203.4
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