CID 185559

Pseudoprotopine

Structural Information

Molecular Formula
C20H19NO5
SMILES
CN1CCC2=CC3=C(C=C2C(=O)CC4=CC5=C(C=C4C1)OCO5)OCO3
InChI
InChI=1S/C20H19NO5/c1-21-3-2-12-5-17-20(26-11-23-17)8-15(12)16(22)4-13-6-18-19(25-10-24-18)7-14(13)9-21/h5-8H,2-4,9-11H2,1H3
InChIKey
ZAALQOFZFANFTF-UHFFFAOYSA-N
Compound name
14-methyl-7,9,20,22-tetraoxa-14-azapentacyclo[15.7.0.04,12.06,10.019,23]tetracosa-1(24),4,6(10),11,17,19(23)-hexaen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

977
Patents

353.1263 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.13358 177.4
[M+Na]+ 376.11552 190.5
[M+NH4]+ 371.16012 185.0
[M+K]+ 392.08946 188.7
[M-H]- 352.11902 185.0
[M+Na-2H]- 374.10097 176.7
[M]+ 353.12575 181.3
[M]- 353.12685 181.3
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