CID 12314672

N-methylhernagine

Structural Information

Molecular Formula
C20H23NO4
SMILES
CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)O)OC)OC)OC
InChI
InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(23-2)20(25-4)18-16(12)13(21)9-11-5-6-14(22)19(24-3)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3
InChIKey
KJAVJETZYFENNG-UHFFFAOYSA-N
Compound name
1,2,11-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

341.16272 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.169996 181.9
[M+Na]+ 364.151938 190.3
[M-H]- 340.155444 184.7
[M+NH4]+ 359.196543 197.2
[M+K]+ 380.125878 186.3
[M+H-H2O]+ 324.159980 173.1
[M+HCOO]- 386.160921 195.0
[M+CH3COO]- 400.176571 216.7
[M+Na-2H]- 362.137386 185.5
[M]+ 341.16217142 186.2
[M]- 341.16326858 186.2
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

patents stripe