CID 3056232

N-(2-hydroxy-3-((2,4,6-trimethylphenyl)amino)propyl)-3,4,5-trimethoxybenzamide

Structural Information

Molecular Formula
C22H30N2O5
SMILES
CC1=CC(=C(C(=C1)C)NCC(CNC(=O)C2=CC(=C(C(=C2)OC)OC)OC)O)C
InChI
InChI=1S/C22H30N2O5/c1-13-7-14(2)20(15(3)8-13)23-11-17(25)12-24-22(26)16-9-18(27-4)21(29-6)19(10-16)28-5/h7-10,17,23,25H,11-12H2,1-6H3,(H,24,26)
InChIKey
OPFOYAQRFUPELB-UHFFFAOYSA-N
Compound name
N-[2-hydroxy-3-(2,4,6-trimethylanilino)propyl]-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

402.21548 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.22276 198.7
[M+Na]+ 425.20470 204.0
[M-H]- 401.20820 204.3
[M+NH4]+ 420.24930 208.9
[M+K]+ 441.17864 201.9
[M+H-H2O]+ 385.21274 189.6
[M+HCOO]- 447.21368 219.8
[M+CH3COO]- 461.22933 232.0
[M+Na-2H]- 423.19015 196.4
[M]+ 402.21493 204.7
[M]- 402.21603 204.7
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