CID 381012

Nsc666996

Structural Information

Molecular Formula
C20H23NO2
SMILES
COC1=C(C=C2C3CC4=CC=CC=C4CN3CCCC2=C1)OC
InChI
InChI=1S/C20H23NO2/c1-22-19-11-15-8-5-9-21-13-16-7-4-3-6-14(16)10-18(21)17(15)12-20(19)23-2/h3-4,6-7,11-12,18H,5,8-10,13H2,1-2H3
InChIKey
KGHCKEDSNXIEJR-UHFFFAOYSA-N
Compound name
2,3-dimethoxy-5,6,7,9,14,14a-hexahydroisoquinolino[3,2-a][2]benzazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.17288 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.18016 171.8
[M+Na]+ 332.16210 178.2
[M-H]- 308.16560 177.3
[M+NH4]+ 327.20670 187.6
[M+K]+ 348.13604 176.8
[M+H-H2O]+ 292.17014 164.9
[M+HCOO]- 354.17108 186.5
[M+CH3COO]- 368.18673 181.8
[M+Na-2H]- 330.14755 177.0
[M]+ 309.17233 169.2
[M]- 309.17343 169.2
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.