CID 440587

6-hydroxyprotopine

Structural Information

Molecular Formula
C20H19NO6
SMILES
CN1CC2=C(CC(=O)C3=CC4=C(C=C3CC1O)OCO4)C=CC5=C2OCO5
InChI
InChI=1S/C20H19NO6/c1-21-8-14-11(2-3-16-20(14)27-10-24-16)4-15(22)13-7-18-17(25-9-26-18)5-12(13)6-19(21)23/h2-3,5,7,19,23H,4,6,8-10H2,1H3
InChIKey
QRZCXUNTBXMAPR-UHFFFAOYSA-N
Compound name
14-hydroxy-15-methyl-7,9,19,21-tetraoxa-15-azapentacyclo[15.7.0.04,12.06,10.018,22]tetracosa-1(17),4,6(10),11,18(22),23-hexaen-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

101
Patents

369.12125 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.12853 177.4
[M+Na]+ 392.11047 186.2
[M-H]- 368.11397 182.7
[M+NH4]+ 387.15507 187.5
[M+K]+ 408.08441 187.2
[M+H-H2O]+ 352.11851 176.5
[M+HCOO]- 414.11945 187.1
[M+CH3COO]- 428.13510 187.4
[M+Na-2H]- 390.09592 178.8
[M]+ 369.12070 178.9
[M]- 369.12180 178.9
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

patents stripe