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
2
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]+ 388.186676 191.8
[M+Na]+ 410.168618 195.6
[M-H]- 386.172124 197.0
[M+NH4]+ 405.213223 201.5
[M+K]+ 426.142558 193.2
[M+H-H2O]+ 370.176660 182.2
[M+HCOO]- 432.177601 214.8
[M+CH3COO]- 446.193251 227.6
[M+Na-2H]- 408.154066 192.4
[M]+ 387.17885142 194.7
[M]- 387.17994858 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.