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

2
Patents

388.19983 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.20711 194.2
[M+Na]+ 411.18905 198.3
[M-H]- 387.19255 200.7
[M+NH4]+ 406.23365 204.9
[M+K]+ 427.16299 197.5
[M+H-H2O]+ 371.19709 184.7
[M+HCOO]- 433.19803 216.2
[M+CH3COO]- 447.21368 229.5
[M+Na-2H]- 409.17450 193.1
[M]+ 388.19928 200.3
[M]- 388.20038 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