CID 197237

112885-23-1

Structural Information

Molecular Formula
C20H24ClN3O3
SMILES
COC1=CC(=C(C=C1C(=O)NCC2CN(CCO2)CC3=CC=CC=C3)Cl)N
InChI
InChI=1S/C20H24ClN3O3/c1-26-19-10-18(22)17(21)9-16(19)20(25)23-11-15-13-24(7-8-27-15)12-14-5-3-2-4-6-14/h2-6,9-10,15H,7-8,11-13,22H2,1H3,(H,23,25)
InChIKey
HLPODFYVEMCHBL-UHFFFAOYSA-N
Compound name
4-amino-N-[(4-benzylmorpholin-2-yl)methyl]-5-chloro-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

25
Patents

389.1506 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.15788 194.3
[M+Na]+ 412.13982 207.1
[M+NH4]+ 407.18442 200.9
[M+K]+ 428.11376 199.7
[M-H]- 388.14332 201.5
[M+Na-2H]- 410.12527 201.0
[M]+ 389.15005 198.3
[M]- 389.15115 198.3
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