CID 3078826

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

Structural Information

Molecular Formula
C22H28ClN3O3
SMILES
COC1=CC(=C(C=C1C(=O)NCC2=CC=C(C=C2)OCCN3CCCCC3)Cl)N
InChI
InChI=1S/C22H28ClN3O3/c1-28-21-14-20(24)19(23)13-18(21)22(27)25-15-16-5-7-17(8-6-16)29-12-11-26-9-3-2-4-10-26/h5-8,13-14H,2-4,9-12,15,24H2,1H3,(H,25,27)
InChIKey
NNCWHOIIBGJPNE-UHFFFAOYSA-N
Compound name
4-amino-5-chloro-2-methoxy-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.18192 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.18920 200.9
[M+Na]+ 440.17114 204.5
[M-H]- 416.17464 207.4
[M+NH4]+ 435.21574 209.3
[M+K]+ 456.14508 198.7
[M+H-H2O]+ 400.17918 190.5
[M+HCOO]- 462.18012 214.8
[M+CH3COO]- 476.19577 229.0
[M+Na-2H]- 438.15659 199.8
[M]+ 417.18137 200.8
[M]- 417.18247 200.8
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

No patent data available for this compound.