CID 601299

Isococlaurine

Structural Information

Molecular Formula
C17H19NO3
SMILES
COC1=C(C=C2CCNC(C2=C1)CC3=CC=C(C=C3)O)O
InChI
InChI=1S/C17H19NO3/c1-21-17-10-14-12(9-16(17)20)6-7-18-15(14)8-11-2-4-13(19)5-3-11/h2-5,9-10,15,18-20H,6-8H2,1H3
InChIKey
HDQFMSLXNCGZDJ-UHFFFAOYSA-N
Compound name
1-[(4-hydroxyphenyl)methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.1365 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.14378 166.3
[M+Na]+ 308.12572 173.1
[M-H]- 284.12922 168.5
[M+NH4]+ 303.17032 179.8
[M+K]+ 324.09966 167.3
[M+H-H2O]+ 268.13376 158.4
[M+HCOO]- 330.13470 181.2
[M+CH3COO]- 344.15035 176.0
[M+Na-2H]- 306.11117 169.9
[M]+ 285.13595 163.2
[M]- 285.13705 163.2
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.