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

literature stripe

Patent stripe

patents stripe