CID 513592

(+)-n-acetylnorglaucine

Structural Information

Molecular Formula
C22H25NO5
SMILES
CC(=O)N1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)OC)OC
InChI
InChI=1S/C22H25NO5/c1-12(24)23-7-6-13-9-19(27-4)22(28-5)21-15-11-18(26-3)17(25-2)10-14(15)8-16(23)20(13)21/h9-11,16H,6-8H2,1-5H3
InChIKey
BRACWKFAIOSVJR-UHFFFAOYSA-N
Compound name
1-(1,2,9,10-tetramethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

383.17328 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.18056 192.2
[M+Na]+ 406.16250 199.7
[M-H]- 382.16600 195.9
[M+NH4]+ 401.20710 206.1
[M+K]+ 422.13644 196.9
[M+H-H2O]+ 366.17054 182.7
[M+HCOO]- 428.17148 205.3
[M+CH3COO]- 442.18713 226.6
[M+Na-2H]- 404.14795 194.2
[M]+ 383.17273 198.8
[M]- 383.17383 198.8
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

No patent data available for this compound.