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

literature stripe

Patent stripe

patents stripe