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 165.7
[M+Na]+ 334.10497 173.4
[M-H]- 310.10847 169.4
[M+NH4]+ 329.14957 182.7
[M+K]+ 350.07891 165.3
[M+H-H2O]+ 294.11301 162.3
[M+HCOO]- 356.11395 175.6
[M+CH3COO]- 370.12960 196.6
[M+Na-2H]- 332.09042 174.3
[M]+ 311.11520 163.9
[M]- 311.11630 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.