CID 42417

57543-06-3

Structural Information

Molecular Formula
C18H19NO2
SMILES
COC1=C(C=C2C=NC(CC2=C1)CC3=CC=CC=C3)OC
InChI
InChI=1S/C18H19NO2/c1-20-17-10-14-9-16(8-13-6-4-3-5-7-13)19-12-15(14)11-18(17)21-2/h3-7,10-12,16H,8-9H2,1-2H3
InChIKey
NXGDVEFTIPYLOF-UHFFFAOYSA-N
Compound name
3-benzyl-6,7-dimethoxy-3,4-dihydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

281.14157 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.148846 166.0
[M+Na]+ 304.130788 173.8
[M-H]- 280.134294 172.0
[M+NH4]+ 299.175393 181.5
[M+K]+ 320.104728 169.4
[M+H-H2O]+ 264.138830 156.7
[M+HCOO]- 326.139771 186.3
[M+CH3COO]- 340.155421 177.5
[M+Na-2H]- 302.116236 171.8
[M]+ 281.14102142 168.1
[M]- 281.14211858 168.1
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

patents stripe