CID 6918446

Nps-2143

Structural Information

Molecular Formula
C24H25ClN2O2
SMILES
CC(C)(CC1=CC2=CC=CC=C2C=C1)NC[C@H](COC3=C(C(=CC=C3)Cl)C#N)O
InChI
InChI=1S/C24H25ClN2O2/c1-24(2,13-17-10-11-18-6-3-4-7-19(18)12-17)27-15-20(28)16-29-23-9-5-8-22(25)21(23)14-26/h3-12,20,27-28H,13,15-16H2,1-2H3/t20-/m1/s1
InChIKey
PZUJQWHTIRWCID-HXUWFJFHSA-N
Compound name
2-chloro-6-[(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propoxy]benzonitrile
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

115
References

108
Patents

408.16046 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.16774 201.5
[M+Na]+ 431.14968 214.5
[M+NH4]+ 426.19428 205.7
[M+K]+ 447.12362 202.5
[M-H]- 407.15318 198.6
[M+Na-2H]- 429.13513 205.5
[M]+ 408.15991 202.2
[M]- 408.16101 202.2
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

patents stripe