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

2
Patents

408.1452 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.15248 195.1
[M+Na]+ 431.13442 200.5
[M-H]- 407.13792 201.8
[M+NH4]+ 426.17902 206.1
[M+K]+ 447.10836 198.2
[M+H-H2O]+ 391.14246 186.9
[M+HCOO]- 453.14340 213.2
[M+CH3COO]- 467.15905 230.0
[M+Na-2H]- 429.11987 194.2
[M]+ 408.14465 203.4
[M]- 408.14575 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