CID 409388

Nsc20816

Structural Information

Molecular Formula
C19H30N2
SMILES
C[N+]1(CCC2=CC=CC=C2C1)CC#CCCC[N+](C)(C)C
InChI
InChI=1S/C19H30N2/c1-20(2,3)14-9-5-6-10-15-21(4)16-13-18-11-7-8-12-19(18)17-21/h7-8,11-12H,5,9,13-17H2,1-4H3/q+2
InChIKey
ZCMAMZGEGIODHN-UHFFFAOYSA-N
Compound name
trimethyl-[6-(2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)hex-4-ynyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.2409 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.24818 175.5
[M+Na]+ 309.23012 183.0
[M-H]- 285.23362 177.4
[M+NH4]+ 304.27472 191.1
[M+K]+ 325.20406 166.0
[M+H-H2O]+ 269.23816 167.3
[M+HCOO]- 331.23910 187.1
[M+CH3COO]- 345.25475 202.1
[M+Na-2H]- 307.21557 183.7
[M]+ 286.24035 167.4
[M]- 286.24145 167.4
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.