CID 3047756

Milacainide

Structural Information

Molecular Formula
C19H25N3O
SMILES
CC1=C(C(=CC=C1)C)N(CCCC2=CN=CC=C2)C(=O)[C@@H](C)N
InChI
InChI=1S/C19H25N3O/c1-14-7-4-8-15(2)18(14)22(19(23)16(3)20)12-6-10-17-9-5-11-21-13-17/h4-5,7-9,11,13,16H,6,10,12,20H2,1-3H3/t16-/m1/s1
InChIKey
YYGZCHLVUTUNGZ-MRXNPFEDSA-N
Compound name
(2R)-2-amino-N-(2,6-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

311.19977 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.20705 178.4
[M+Na]+ 334.18899 182.9
[M-H]- 310.19249 184.2
[M+NH4]+ 329.23359 191.4
[M+K]+ 350.16293 179.6
[M+H-H2O]+ 294.19703 168.8
[M+HCOO]- 356.19797 200.1
[M+CH3COO]- 370.21362 216.9
[M+Na-2H]- 332.17444 179.1
[M]+ 311.19922 178.8
[M]- 311.20032 178.8
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.