CID 15520811

Pseudocoptisine

Structural Information

Molecular Formula
C19H14NO4
SMILES
C1C[N+]2=CC3=CC4=C(C=C3C=C2C5=CC6=C(C=C51)OCO6)OCO4
InChI
InChI=1S/C19H14NO4/c1-2-20-8-13-6-18-17(22-9-23-18)5-12(13)3-15(20)14-7-19-16(4-11(1)14)21-10-24-19/h3-8H,1-2,9-10H2/q+1
InChIKey
IDEMWTMCJLNBDH-UHFFFAOYSA-N
Compound name
5,7,18,20-tetraoxa-13-azoniahexacyclo[11.11.0.02,10.04,8.015,23.017,21]tetracosa-1(24),2,4(8),9,13,15,17(21),22-octaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

27
Patents

320.0923 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.099576 165.0
[M+Na]+ 343.081518 174.5
[M-H]- 319.085024 174.7
[M+NH4]+ 338.126123 180.4
[M+K]+ 359.055458 168.6
[M+H-H2O]+ 303.089560 161.5
[M+HCOO]- 365.090501 177.1
[M+CH3COO]- 379.106151 176.8
[M+Na-2H]- 341.066966 173.5
[M]+ 320.09175142 168.0
[M]- 320.09284858 168.0
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

patents stripe