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 191.8
[M+Na]+ 410.16862 195.6
[M-H]- 386.17212 197.0
[M+NH4]+ 405.21322 201.5
[M+K]+ 426.14256 193.2
[M+H-H2O]+ 370.17666 182.2
[M+HCOO]- 432.17760 214.8
[M+CH3COO]- 446.19325 227.6
[M+Na-2H]- 408.15407 192.4
[M]+ 387.17885 194.7
[M]- 387.17995 194.7
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.