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 191.2
[M+Na]+ 393.19106 199.7
[M-H]- 369.19456 195.4
[M+NH4]+ 388.23566 207.8
[M+K]+ 409.16500 190.4
[M+H-H2O]+ 353.19910 184.3
[M+HCOO]- 415.20004 204.4
[M+CH3COO]- 429.21569 217.3
[M+Na-2H]- 391.17651 197.4
[M]+ 370.20129 196.3
[M]- 370.20239 196.3
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.