CID 622378

6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinoline

Structural Information

Molecular Formula
C17H17NO2
SMILES
COC1=C(C=C2C(=C1)CCN=C2C3=CC=CC=C3)OC
InChI
InChI=1S/C17H17NO2/c1-19-15-10-13-8-9-18-17(12-6-4-3-5-7-12)14(13)11-16(15)20-2/h3-7,10-11H,8-9H2,1-2H3
InChIKey
WGTCMJBJRPKENJ-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

45
Patents

267.12592 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.133196 161.3
[M+Na]+ 290.115138 169.6
[M-H]- 266.118644 167.6
[M+NH4]+ 285.159743 177.5
[M+K]+ 306.089078 165.5
[M+H-H2O]+ 250.123180 152.3
[M+HCOO]- 312.124121 182.0
[M+CH3COO]- 326.139771 173.3
[M+Na-2H]- 288.100586 167.7
[M]+ 267.12537142 163.1
[M]- 267.12646858 163.1
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