CID 388887

Nsc684112

Structural Information

Molecular Formula
C20H19NO3
SMILES
COC1=C(C=C2C(=C1)CCCN3C2=CC4=CC=CC=C4C3=O)OC
InChI
InChI=1S/C20H19NO3/c1-23-18-11-14-7-5-9-21-17(16(14)12-19(18)24-2)10-13-6-3-4-8-15(13)20(21)22/h3-4,6,8,10-12H,5,7,9H2,1-2H3
InChIKey
PWTVKJXKEFDTDP-UHFFFAOYSA-N
Compound name
2,3-dimethoxy-6,7-dihydro-5H-isoquinolino[3,2-a][2]benzazepin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.1365 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.14378 173.5
[M+Na]+ 344.12572 182.8
[M-H]- 320.12922 180.3
[M+NH4]+ 339.17032 189.3
[M+K]+ 360.09966 181.9
[M+H-H2O]+ 304.13376 166.9
[M+HCOO]- 366.13470 191.2
[M+CH3COO]- 380.15035 184.8
[M+Na-2H]- 342.11117 180.1
[M]+ 321.13595 174.8
[M]- 321.13705 174.8
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.