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]+ 287.211776 171.7
[M+Na]+ 309.193718 177.1
[M-H]- 285.197224 173.7
[M+NH4]+ 304.238323 188.7
[M+K]+ 325.167658 173.7
[M+H-H2O]+ 269.201760 164.6
[M+HCOO]- 331.202701 188.1
[M+CH3COO]- 345.218351 208.7
[M+Na-2H]- 307.179166 172.8
[M]+ 286.20395142 170.9
[M]- 286.20504858 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.