CID 177017

Californidine perchlorate

Structural Information

Molecular Formula
C20H20NO4
SMILES
C[N+]1(C2CC3=CC4=C(C=C3C1CC5=CC6=C(C=C25)OCO6)OCO4)C
InChI
InChI=1S/C20H20NO4/c1-21(2)15-3-11-5-17-19(24-9-22-17)7-13(11)16(21)4-12-6-18-20(8-14(12)15)25-10-23-18/h5-8,15-16H,3-4,9-10H2,1-2H3/q+1
InChIKey
HFYKETHYKFKFQE-UHFFFAOYSA-N
Compound name
23,23-dimethyl-5,7,16,18-tetraoxa-23-azoniahexacyclo[10.10.1.02,10.04,8.013,21.015,19]tricosa-2,4(8),9,13,15(19),20-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

338.13922 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.14650 170.9
[M+Na]+ 361.12844 180.1
[M-H]- 337.13194 178.6
[M+NH4]+ 356.17304 188.4
[M+K]+ 377.10238 173.4
[M+H-H2O]+ 321.13648 166.9
[M+HCOO]- 383.13742 179.1
[M+CH3COO]- 397.15307 181.7
[M+Na-2H]- 359.11389 178.0
[M]+ 338.13867 173.1
[M]- 338.13977 173.1
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.