CID 370811

Nsc644332

Structural Information

Molecular Formula
C17H19NO2
SMILES
COC1=C(C=C2CNCCC2=C1)OCC3=CC=CC=C3
InChI
InChI=1S/C17H19NO2/c1-19-16-9-14-7-8-18-11-15(14)10-17(16)20-12-13-5-3-2-4-6-13/h2-6,9-10,18H,7-8,11-12H2,1H3
InChIKey
JYFYNWZNMJYNEH-UHFFFAOYSA-N
Compound name
6-methoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

269.14157 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.14885 162.3
[M+Na]+ 292.13079 168.2
[M-H]- 268.13429 166.3
[M+NH4]+ 287.17539 177.2
[M+K]+ 308.10473 163.3
[M+H-H2O]+ 252.13883 153.4
[M+HCOO]- 314.13977 180.1
[M+CH3COO]- 328.15542 172.7
[M+Na-2H]- 290.11624 168.0
[M]+ 269.14102 160.4
[M]- 269.14212 160.4
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