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

3
Patents

402.21548 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.222756 198.7
[M+Na]+ 425.204698 204.0
[M-H]- 401.208204 204.3
[M+NH4]+ 420.249303 208.9
[M+K]+ 441.178638 201.9
[M+H-H2O]+ 385.212740 189.6
[M+HCOO]- 447.213681 219.8
[M+CH3COO]- 461.229331 232.0
[M+Na-2H]- 423.190146 196.4
[M]+ 402.21493142 204.7
[M]- 402.21602858 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