CID 5315739

N-acetyldehydroanonaine

Structural Information

Molecular Formula
C19H15NO3
SMILES
CC(=O)N1CCC2=CC3=C(C4=C2C1=CC5=CC=CC=C54)OCO3
InChI
InChI=1S/C19H15NO3/c1-11(21)20-7-6-13-9-16-19(23-10-22-16)18-14-5-3-2-4-12(14)8-15(20)17(13)18/h2-5,8-9H,6-7,10H2,1H3
InChIKey
FNUSCCFSHRMQQM-UHFFFAOYSA-N
Compound name
1-(3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,12,14,16,18-heptaen-11-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.1052 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.11248 166.8
[M+Na]+ 328.09442 176.4
[M-H]- 304.09792 173.5
[M+NH4]+ 323.13902 183.7
[M+K]+ 344.06836 173.5
[M+H-H2O]+ 288.10246 158.8
[M+HCOO]- 350.10340 181.2
[M+CH3COO]- 364.11905 178.5
[M+Na-2H]- 326.07987 173.5
[M]+ 305.10465 170.6
[M]- 305.10575 170.6
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.