CID 196885

Litebamine

Structural Information

Molecular Formula
C20H21NO4
SMILES
CN1CCC2=C3C=CC4=CC(=C(C=C4C3=C(C(=C2C1)O)OC)OC)O
InChI
InChI=1S/C20H21NO4/c1-21-7-6-12-13-5-4-11-8-16(22)17(24-2)9-14(11)18(13)20(25-3)19(23)15(12)10-21/h4-5,8-9,22-23H,6-7,10H2,1-3H3
InChIKey
QOWFEPGZJDCIKG-UHFFFAOYSA-N
Compound name
9,11-dimethoxy-2-methyl-3,4-dihydro-1H-naphtho[2,1-f]isoquinoline-8,12-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

339.14706 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.154336 179.6
[M+Na]+ 362.136278 189.8
[M-H]- 338.139784 182.7
[M+NH4]+ 357.180883 194.3
[M+K]+ 378.110218 184.7
[M+H-H2O]+ 322.144320 171.2
[M+HCOO]- 384.145261 194.1
[M+CH3COO]- 398.160911 189.9
[M+Na-2H]- 360.121726 184.4
[M]+ 339.14651142 183.3
[M]- 339.14760858 183.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.