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]+ 306.112476 166.8
[M+Na]+ 328.094418 176.4
[M-H]- 304.097924 173.5
[M+NH4]+ 323.139023 183.7
[M+K]+ 344.068358 173.5
[M+H-H2O]+ 288.102460 158.8
[M+HCOO]- 350.103401 181.2
[M+CH3COO]- 364.119051 178.5
[M+Na-2H]- 326.079866 173.5
[M]+ 305.10465142 170.6
[M]- 305.10574858 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.