CID 390010

Nsc686932

Structural Information

Molecular Formula
C20H22ClNO2
SMILES
COC1=C(C=C2C(=C1)CCN=C2CC3=CC=CC=C3CCCl)OC
InChI
InChI=1S/C20H22ClNO2/c1-23-19-12-16-8-10-22-18(17(16)13-20(19)24-2)11-15-6-4-3-5-14(15)7-9-21/h3-6,12-13H,7-11H2,1-2H3
InChIKey
DWKXCGUOAGNWSW-UHFFFAOYSA-N
Compound name
1-[[2-(2-chloroethyl)phenyl]methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.1339 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.14118 181.6
[M+Na]+ 366.12312 190.2
[M-H]- 342.12662 187.3
[M+NH4]+ 361.16772 195.8
[M+K]+ 382.09706 183.8
[M+H-H2O]+ 326.13116 172.6
[M+HCOO]- 388.13210 196.6
[M+CH3COO]- 402.14775 212.8
[M+Na-2H]- 364.10857 185.0
[M]+ 343.13335 187.0
[M]- 343.13445 187.0
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.