CID 50972

Nofecainide

Structural Information

Molecular Formula
C20H24N2O3
SMILES
CC(C)NCC(COC1C2=CC=CC=C2C(=O)N1C3=CC=CC=C3)O
InChI
InChI=1S/C20H24N2O3/c1-14(2)21-12-16(23)13-25-20-18-11-7-6-10-17(18)19(24)22(20)15-8-4-3-5-9-15/h3-11,14,16,20-21,23H,12-13H2,1-2H3
InChIKey
KUHVZVZAYMLXGA-UHFFFAOYSA-N
Compound name
3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-phenyl-3H-isoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

45
Patents

340.17868 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.18596 181.8
[M+Na]+ 363.16790 186.7
[M-H]- 339.17140 186.4
[M+NH4]+ 358.21250 195.5
[M+K]+ 379.14184 182.4
[M+H-H2O]+ 323.17594 173.4
[M+HCOO]- 385.17688 200.2
[M+CH3COO]- 399.19253 213.5
[M+Na-2H]- 361.15335 181.9
[M]+ 340.17813 182.6
[M]- 340.17923 182.6
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.