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 197.1
[M+Na]+ 426.15548 202.0
[M-H]- 402.15898 204.5
[M+NH4]+ 421.20008 208.1
[M+K]+ 442.12942 196.2
[M+H-H2O]+ 386.16352 187.5
[M+HCOO]- 448.16446 213.6
[M+CH3COO]- 462.18011 225.3
[M+Na-2H]- 424.14093 195.0
[M]+ 403.16571 198.8
[M]- 403.16681 198.8
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