CID 384194

Nsc673600

Structural Information

Molecular Formula
C22H27NO4
SMILES
COC1=C(C=C2C3CC4=CC(=C(C=C4CN3CCCC2=C1)OC)OC)OC
InChI
InChI=1S/C22H27NO4/c1-24-19-9-14-6-5-7-23-13-16-11-21(26-3)20(25-2)10-15(16)8-18(23)17(14)12-22(19)27-4/h9-12,18H,5-8,13H2,1-4H3
InChIKey
TVBRYPWZLXTVSF-UHFFFAOYSA-N
Compound name
2,3,11,12-tetramethoxy-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

369.194 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.20128 187.3
[M+Na]+ 392.18322 194.0
[M-H]- 368.18672 193.1
[M+NH4]+ 387.22782 201.1
[M+K]+ 408.15716 194.3
[M+H-H2O]+ 352.19126 180.0
[M+HCOO]- 414.19220 201.4
[M+CH3COO]- 428.20785 196.7
[M+Na-2H]- 390.16867 190.4
[M]+ 369.19345 188.7
[M]- 369.19455 188.7
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.