CID 2853487

121064-17-3

Structural Information

Molecular Formula
C18H26N2O
SMILES
CC(C)CCC(C1=NC(CC2=CC=CC=C21)(C)C)C(=O)N
InChI
InChI=1S/C18H26N2O/c1-12(2)9-10-15(17(19)21)16-14-8-6-5-7-13(14)11-18(3,4)20-16/h5-8,12,15H,9-11H2,1-4H3,(H2,19,21)
InChIKey
QWFJIWANTWCIHT-UHFFFAOYSA-N
Compound name
2-(3,3-dimethyl-4H-isoquinolin-1-yl)-5-methylhexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.2045 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.21178 171.7
[M+Na]+ 309.19372 177.1
[M-H]- 285.19722 173.7
[M+NH4]+ 304.23832 188.7
[M+K]+ 325.16766 173.7
[M+H-H2O]+ 269.20176 164.6
[M+HCOO]- 331.20270 188.1
[M+CH3COO]- 345.21835 208.7
[M+Na-2H]- 307.17917 172.8
[M]+ 286.20395 170.9
[M]- 286.20505 170.9
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.