CID 65885

Ecabapide

Structural Information

Molecular Formula
C20H25N3O4
SMILES
CNC(=O)C1=CC(=CC=C1)NCC(=O)NCCC2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C20H25N3O4/c1-21-20(25)15-5-4-6-16(12-15)23-13-19(24)22-10-9-14-7-8-17(26-2)18(11-14)27-3/h4-8,11-12,23H,9-10,13H2,1-3H3,(H,21,25)(H,22,24)
InChIKey
JTAGHJPZEDNHHA-UHFFFAOYSA-N
Compound name
3-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]amino]-N-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

26
References

840
Patents

371.1845 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.19178 191.0
[M+Na]+ 394.17372 200.3
[M+NH4]+ 389.21832 195.8
[M+K]+ 410.14766 194.5
[M-H]- 370.17722 194.7
[M+Na-2H]- 392.15917 196.6
[M]+ 371.18395 192.9
[M]- 371.18505 192.9
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

patents stripe