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-methylpyridin-3-yl)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]+ 360.14733 185.4
[M+Na]+ 382.12927 191.1
[M-H]- 358.13277 192.4
[M+NH4]+ 377.17387 198.0
[M+K]+ 398.10321 184.5
[M+H-H2O]+ 342.13731 176.8
[M+HCOO]- 404.13825 201.6
[M+CH3COO]- 418.15390 215.5
[M+Na-2H]- 380.11472 184.8
[M]+ 359.13950 184.3
[M]- 359.14060 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.