CID 18519

Tetrahydropapaveroline

Structural Information

Molecular Formula
C16H17NO4
SMILES
C1CNC(C2=CC(=C(C=C21)O)O)CC3=CC(=C(C=C3)O)O
InChI
InChI=1S/C16H17NO4/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-2,6-8,12,17-21H,3-5H2
InChIKey
ABXZOXDTHTTZJW-UHFFFAOYSA-N
Compound name
1-[(3,4-dihydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

150
References

512
Patents

287.11575 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.12303 165.6
[M+Na]+ 310.10497 172.7
[M-H]- 286.10847 165.6
[M+NH4]+ 305.14957 177.8
[M+K]+ 326.07891 166.4
[M+H-H2O]+ 270.11301 158.6
[M+HCOO]- 332.11395 178.0
[M+CH3COO]- 346.12960 174.6
[M+Na-2H]- 308.09042 168.2
[M]+ 287.11520 160.6
[M]- 287.11630 160.6
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.