CID 3087003

112884-95-4

Structural Information

Molecular Formula
C21H26ClN3O3
SMILES
CC(C1=CC=CC=C1)N2CCOC(C2)CNC(=O)C3=CC(=C(C=C3OC)N)Cl
InChI
InChI=1S/C21H26ClN3O3/c1-14(15-6-4-3-5-7-15)25-8-9-28-16(13-25)12-24-21(26)17-10-18(22)19(23)11-20(17)27-2/h3-7,10-11,14,16H,8-9,12-13,23H2,1-2H3,(H,24,26)
InChIKey
CSIPUILSWNBJKV-UHFFFAOYSA-N
Compound name
4-amino-5-chloro-2-methoxy-N-[[4-(1-phenylethyl)morpholin-2-yl]methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
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 199.5
[M+Na]+ 426.15548 203.5
[M-H]- 402.15898 207.0
[M+NH4]+ 421.20008 207.2
[M+K]+ 442.12942 199.3
[M+H-H2O]+ 386.16352 189.4
[M+HCOO]- 448.16446 211.8
[M+CH3COO]- 462.18011 227.3
[M+Na-2H]- 424.14093 198.2
[M]+ 403.16571 199.2
[M]- 403.16681 199.2
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.