CID 211016

Lu 4-012 hydrochloride

Structural Information

Molecular Formula
C15H20N2O
SMILES
CC1(C2=CC=CC=C2C(O1)(CCCNC)C#N)C
InChI
InChI=1S/C15H20N2O/c1-14(2)12-7-4-5-8-13(12)15(11-16,18-14)9-6-10-17-3/h4-5,7-8,17H,6,9-10H2,1-3H3
InChIKey
KRPPJTVBKGOYQE-UHFFFAOYSA-N
Compound name
3,3-dimethyl-1-[3-(methylamino)propyl]-2-benzofuran-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.15756 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.16484 156.1
[M+Na]+ 267.14678 167.5
[M-H]- 243.15028 160.7
[M+NH4]+ 262.19138 177.0
[M+K]+ 283.12072 161.6
[M+H-H2O]+ 227.15482 144.6
[M+HCOO]- 289.15576 174.8
[M+CH3COO]- 303.17141 207.3
[M+Na-2H]- 265.13223 162.6
[M]+ 244.15701 153.8
[M]- 244.15811 153.8
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.