CID 1119124

N-methylglaucine

Structural Information

Molecular Formula
C22H28NO4
SMILES
C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC)C
InChI
InChI=1S/C22H28NO4/c1-23(2)8-7-13-10-19(26-5)22(27-6)21-15-12-18(25-4)17(24-3)11-14(15)9-16(23)20(13)21/h10-12,16H,7-9H2,1-6H3/q+1/t16-/m0/s1
InChIKey
WKHHFWJJIRCXHA-INIZCTEOSA-N
Compound name
(6aS)-1,2,9,10-tetramethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.20184 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.20912 187.7
[M+Na]+ 393.19106 204.9
[M+NH4]+ 388.23566 199.2
[M+K]+ 409.16500 194.8
[M-H]- 369.19456 192.8
[M+Na-2H]- 391.17651 193.1
[M]+ 370.20129 192.4
[M]- 370.20239 192.4
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.