CID 137699308

Iia23749

Structural Information

Molecular Formula
C22H20NO4
SMILES
COC1=C(C2=C3CCC[N+]3=C4C5C=C6C(=CC5C=CC4=C2C=C1)OCO6)O
InChI
InChI=1S/C22H19NO4/c1-25-17-7-6-13-14-5-4-12-9-18-19(27-11-26-18)10-15(12)21(14)23-8-2-3-16(23)20(13)22(17)24/h4-7,9-10,12,15H,2-3,8,11H2,1H3/p+1
InChIKey
YNNPEIOTMPNQHH-UHFFFAOYSA-O
Compound name
17-methoxy-5,7-dioxa-24-azoniahexacyclo[11.11.0.02,10.04,8.014,19.020,24]tetracosa-1(24),3,8,11,13,15,17,19-octaen-18-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.13922 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.14650 181.0
[M+Na]+ 385.12844 197.4
[M+NH4]+ 380.17304 192.1
[M+K]+ 401.10238 194.2
[M-H]- 361.13194 188.9
[M+Na-2H]- 383.11389 182.4
[M]+ 362.13867 186.2
[M]- 362.13977 186.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.