CID 5459346

Papaveroline

Structural Information

Molecular Formula
C16H13NO4
SMILES
C1=CC(=C(C=C1CC2=NC=CC3=CC(=C(C=C32)O)O)O)O
InChI
InChI=1S/C16H13NO4/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-4,6-8,18-21H,5H2
InChIKey
MXQKCNCLQIHHJA-UHFFFAOYSA-N
Compound name
1-[(3,4-dihydroxyphenyl)methyl]isoquinoline-6,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

417
Patents

283.08447 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.09175 163.2
[M+Na]+ 306.07369 172.7
[M-H]- 282.07719 165.4
[M+NH4]+ 301.11829 176.3
[M+K]+ 322.04763 166.8
[M+H-H2O]+ 266.08173 155.7
[M+HCOO]- 328.08267 179.9
[M+CH3COO]- 342.09832 173.9
[M+Na-2H]- 304.05914 168.1
[M]+ 283.08392 162.7
[M]- 283.08502 162.7
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.