CID 101013560

Ns00117075

Structural Information

Molecular Formula
C20H25N3O5
SMILES
CNC(=O)C1=C(C=CC(=C1)NCC(=O)NCCC2=CC(=C(C=C2)OC)OC)O
InChI
InChI=1S/C20H25N3O5/c1-21-20(26)15-11-14(5-6-16(15)24)23-12-19(25)22-9-8-13-4-7-17(27-2)18(10-13)28-3/h4-7,10-11,23-24H,8-9,12H2,1-3H3,(H,21,26)(H,22,25)
InChIKey
HHTJYUYIEQTITM-UHFFFAOYSA-N
Compound name
5-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]amino]-2-hydroxy-N-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.1794 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.18668 194.1
[M+Na]+ 410.16862 202.7
[M+NH4]+ 405.21322 197.9
[M+K]+ 426.14256 198.0
[M-H]- 386.17212 196.8
[M+Na-2H]- 408.15407 198.3
[M]+ 387.17885 195.5
[M]- 387.17995 195.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.