CID 197238

112885-33-3

Structural Information

Molecular Formula
C21H26ClN3O3
SMILES
CCOC1=CC(=C(C=C1C(=O)NCC2CN(CCO2)CC3=CC=CC=C3)Cl)N
InChI
InChI=1S/C21H26ClN3O3/c1-2-27-20-11-19(23)18(22)10-17(20)21(26)24-12-16-14-25(8-9-28-16)13-15-6-4-3-5-7-15/h3-7,10-11,16H,2,8-9,12-14,23H2,1H3,(H,24,26)
InChIKey
LPMRXDXYXHBNIO-UHFFFAOYSA-N
Compound name
4-amino-N-[(4-benzylmorpholin-2-yl)methyl]-5-chloro-2-ethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

12
Patents

403.16626 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.17354 198.8
[M+Na]+ 426.15548 211.4
[M+NH4]+ 421.20008 205.2
[M+K]+ 442.12942 203.8
[M-H]- 402.15898 206.0
[M+Na-2H]- 424.14093 205.2
[M]+ 403.16571 202.8
[M]- 403.16681 202.8
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