CID 3087013

112886-39-2

Structural Information

Molecular Formula
C22H28ClN3O3
SMILES
CCOC1=CC(=C(C=C1C(=O)NCC2CN(CCO2)C(C)C3=CC=CC=C3)Cl)N
InChI
InChI=1S/C22H28ClN3O3/c1-3-28-21-12-20(24)19(23)11-18(21)22(27)25-13-17-14-26(9-10-29-17)15(2)16-7-5-4-6-8-16/h4-8,11-12,15,17H,3,9-10,13-14,24H2,1-2H3,(H,25,27)
InChIKey
IRUPSXMYBVDTMY-UHFFFAOYSA-N
Compound name
4-amino-5-chloro-2-ethoxy-N-[[4-(1-phenylethyl)morpholin-2-yl]methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

417.18192 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.18920 202.9
[M+Na]+ 440.17114 214.9
[M+NH4]+ 435.21574 209.0
[M+K]+ 456.14508 207.9
[M-H]- 416.17464 209.9
[M+Na-2H]- 438.15659 208.7
[M]+ 417.18137 206.7
[M]- 417.18247 206.7
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.