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

567
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

literature stripe

Patent stripe

patents stripe