CID 381014

Nsc666997

Structural Information

Molecular Formula
C19H27NO2
SMILES
COC1=C(C=C2C3C4CCCCC4CCN3CCC2=C1)OC
InChI
InChI=1S/C19H27NO2/c1-21-17-11-14-8-10-20-9-7-13-5-3-4-6-15(13)19(20)16(14)12-18(17)22-2/h11-13,15,19H,3-10H2,1-2H3
InChIKey
JOBJVIZEZUJEBB-UHFFFAOYSA-N
Compound name
2,3-dimethoxy-6,8,9,9a,10,11,12,13,13a,13b-decahydro-5H-isoquinolino[1,2-a]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.2042 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.21148 172.0
[M+Na]+ 324.19342 176.1
[M-H]- 300.19692 174.7
[M+NH4]+ 319.23802 188.4
[M+K]+ 340.16736 171.6
[M+H-H2O]+ 284.20146 162.7
[M+HCOO]- 346.20240 182.4
[M+CH3COO]- 360.21805 180.6
[M+Na-2H]- 322.17887 174.9
[M]+ 301.20365 167.3
[M]- 301.20475 167.3
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.