CID 384192

Nsc673598

Structural Information

Molecular Formula
C19H21NO
SMILES
COC1=CC2=C(C=C1)C3CC4=CC=CC=C4CN3CCC2
InChI
InChI=1S/C19H21NO/c1-21-17-8-9-18-15(11-17)7-4-10-20-13-16-6-3-2-5-14(16)12-19(18)20/h2-3,5-6,8-9,11,19H,4,7,10,12-13H2,1H3
InChIKey
NEJKCLCTAREPHX-UHFFFAOYSA-N
Compound name
3-methoxy-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

279.16232 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.16960 163.8
[M+Na]+ 302.15154 169.9
[M-H]- 278.15504 169.1
[M+NH4]+ 297.19614 180.6
[M+K]+ 318.12548 167.8
[M+H-H2O]+ 262.15958 157.2
[M+HCOO]- 324.16052 178.7
[M+CH3COO]- 338.17617 174.0
[M+Na-2H]- 300.13699 170.1
[M]+ 279.16177 159.1
[M]- 279.16287 159.1
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.