CID 3038529

132680-99-0

Structural Information

Molecular Formula
C18H29N2O2
SMILES
CC1(CC2=CC(=C(C=C2C(=N1)CC[N+](C)(C)C)OC)OC)C
InChI
InChI=1S/C18H29N2O2/c1-18(2)12-13-10-16(21-6)17(22-7)11-14(13)15(19-18)8-9-20(3,4)5/h10-11H,8-9,12H2,1-7H3/q+1
InChIKey
WCQGGZMKVYUWHS-UHFFFAOYSA-N
Compound name
2-(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)ethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.2229 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.23018 172.7
[M+Na]+ 328.21212 180.9
[M-H]- 304.21562 177.7
[M+NH4]+ 323.25672 190.8
[M+K]+ 344.18606 173.2
[M+H-H2O]+ 288.22016 168.5
[M+HCOO]- 350.22110 192.2
[M+CH3COO]- 364.23675 208.1
[M+Na-2H]- 326.19757 181.2
[M]+ 305.22235 177.3
[M]- 305.22345 177.3
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.