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

1
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

patents stripe