CID 3078825

Benzamide, 4-amino-5-chloro-2-methoxy-n-((4-(2-(1-pyrrolidinyl)ethoxy)phenyl)methyl)-

Structural Information

Molecular Formula
C21H26ClN3O3
SMILES
COC1=CC(=C(C=C1C(=O)NCC2=CC=C(C=C2)OCCN3CCCC3)Cl)N
InChI
InChI=1S/C21H26ClN3O3/c1-27-20-13-19(23)18(22)12-17(20)21(26)24-14-15-4-6-16(7-5-15)28-11-10-25-8-2-3-9-25/h4-7,12-13H,2-3,8-11,14,23H2,1H3,(H,24,26)
InChIKey
KBZJHFLILDZDSK-UHFFFAOYSA-N
Compound name
4-amino-5-chloro-2-methoxy-N-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

403.16626 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.17354 197.5
[M+Na]+ 426.15548 208.4
[M+NH4]+ 421.20008 203.8
[M+K]+ 442.12942 202.9
[M-H]- 402.15898 202.6
[M+Na-2H]- 424.14093 203.5
[M]+ 403.16571 200.5
[M]- 403.16681 200.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe