CID 71147

Nicainoprol

Structural Information

Molecular Formula
C21H27N3O3
SMILES
CC(C)NCC(COC1=CC=CC2=C1N(CCC2)C(=O)C3=CN=CC=C3)O
InChI
InChI=1S/C21H27N3O3/c1-15(2)23-13-18(25)14-27-19-9-3-6-16-8-5-11-24(20(16)19)21(26)17-7-4-10-22-12-17/h3-4,6-7,9-10,12,15,18,23,25H,5,8,11,13-14H2,1-2H3
InChIKey
AUIHHZBJBKRDIE-UHFFFAOYSA-N
Compound name
[8-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-2H-quinolin-1-yl]-pyridin-3-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

70
Patents

369.20523 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.21251 189.8
[M+Na]+ 392.19445 200.4
[M+NH4]+ 387.23905 195.5
[M+K]+ 408.16839 194.5
[M-H]- 368.19795 192.3
[M+Na-2H]- 390.17990 194.6
[M]+ 369.20468 191.7
[M]- 369.20578 191.7
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