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]+ 245.164836 156.1
[M+Na]+ 267.146778 167.5
[M-H]- 243.150284 160.7
[M+NH4]+ 262.191383 177.0
[M+K]+ 283.120718 161.6
[M+H-H2O]+ 227.154820 144.6
[M+HCOO]- 289.155761 174.8
[M+CH3COO]- 303.171411 207.3
[M+Na-2H]- 265.132226 162.6
[M]+ 244.15701142 153.8
[M]- 244.15810858 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.