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]+ 312.123026 165.7
[M+Na]+ 334.104968 173.4
[M-H]- 310.108474 169.4
[M+NH4]+ 329.149573 182.7
[M+K]+ 350.078908 165.3
[M+H-H2O]+ 294.113010 162.3
[M+HCOO]- 356.113951 175.6
[M+CH3COO]- 370.129601 196.6
[M+Na-2H]- 332.090416 174.3
[M]+ 311.11520142 163.9
[M]- 311.11629858 163.9
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.