CID 13891870

(+)-norushinsunine n-oxide

Structural Information

Molecular Formula
C18H17NO4
SMILES
C[N+]1(CCC2=CC3=C(C4=C2C1C(C5=CC=CC=C54)O)OCO3)[O-]
InChI
InChI=1S/C18H17NO4/c1-19(21)7-6-10-8-13-18(23-9-22-13)15-11-4-2-3-5-12(11)17(20)16(19)14(10)15/h2-5,8,16-17,20H,6-7,9H2,1H3
InChIKey
PQQSHMZUVWGXSV-UHFFFAOYSA-N
Compound name
11-methyl-11-oxido-3,5-dioxa-11-azoniapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-13-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.11575 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.12303 169.2
[M+Na]+ 334.10497 184.9
[M+NH4]+ 329.14957 180.9
[M+K]+ 350.07891 179.5
[M-H]- 310.10847 175.7
[M+Na-2H]- 332.09042 171.4
[M]+ 311.11520 173.6
[M]- 311.11630 173.6
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.