CID 3056228

73571-93-4

Structural Information

Molecular Formula
C21H28N2O5
SMILES
CC1=CC=C(C=C1)N(C)CC(CNC(=O)C2=CC(=C(C(=C2)OC)OC)OC)O
InChI
InChI=1S/C21H28N2O5/c1-14-6-8-16(9-7-14)23(2)13-17(24)12-22-21(25)15-10-18(26-3)20(28-5)19(11-15)27-4/h6-11,17,24H,12-13H2,1-5H3,(H,22,25)
InChIKey
PCWPSQANCDQLSP-UHFFFAOYSA-N
Compound name
N-[3-(N,4-dimethylanilino)-2-hydroxypropyl]-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

388.19983 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.207106 194.2
[M+Na]+ 411.189048 198.3
[M-H]- 387.192554 200.7
[M+NH4]+ 406.233653 204.9
[M+K]+ 427.162988 197.5
[M+H-H2O]+ 371.197090 184.7
[M+HCOO]- 433.198031 216.2
[M+CH3COO]- 447.213681 229.5
[M+Na-2H]- 409.174496 193.1
[M]+ 388.19928142 200.3
[M]- 388.20037858 200.3
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