CID 169408233

2-(3-chloro-5-{[(1s,2s)-2-hydroxycyclopentyl]amino}phenyl)-n-(4-methylpyridin-3-yl)acetamide

Structural Information

Molecular Formula
C19H22ClN3O2
SMILES
CC1=C(C=NC=C1)NC(=O)CC2=CC(=CC(=C2)Cl)N[C@H]3CCC[C@@H]3O
InChI
InChI=1S/C19H22ClN3O2/c1-12-5-6-21-11-17(12)23-19(25)9-13-7-14(20)10-15(8-13)22-16-3-2-4-18(16)24/h5-8,10-11,16,18,22,24H,2-4,9H2,1H3,(H,23,25)/t16-,18-/m0/s1
InChIKey
SXRYZSBUMPNSOT-WMZOPIPTSA-N
Compound name
2-[3-chloro-5-[[(1S,2S)-2-hydroxycyclopentyl]amino]phenyl]-N-(4-methyl-3-pyridinyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.14005 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.147326 185.4
[M+Na]+ 382.129268 191.1
[M-H]- 358.132774 192.4
[M+NH4]+ 377.173873 198.0
[M+K]+ 398.103208 184.5
[M+H-H2O]+ 342.137310 176.8
[M+HCOO]- 404.138251 201.6
[M+CH3COO]- 418.153901 215.5
[M+Na-2H]- 380.114716 184.8
[M]+ 359.13950142 184.3
[M]- 359.14059858 184.3
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

No patent data available for this compound.