CID 56581

93202-97-2

Structural Information

Molecular Formula
C17H19NO2
SMILES
CC1C2=C(C=C(C=C2)O)C(CN1CC3=CC=CC=C3)O
InChI
InChI=1S/C17H19NO2/c1-12-15-8-7-14(19)9-16(15)17(20)11-18(12)10-13-5-3-2-4-6-13/h2-9,12,17,19-20H,10-11H2,1H3
InChIKey
QKLSMISEZXAORX-UHFFFAOYSA-N
Compound name
2-benzyl-1-methyl-3,4-dihydro-1H-isoquinoline-4,6-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.14157 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.14885 163.6
[M+Na]+ 292.13079 178.4
[M+NH4]+ 287.17539 172.3
[M+K]+ 308.10473 170.4
[M-H]- 268.13429 167.9
[M+Na-2H]- 290.11624 170.7
[M]+ 269.14102 167.0
[M]- 269.14212 167.0
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.