CID 390012

Nsc686933

Structural Information

Molecular Formula
C19H20ClNO
SMILES
COC1=CC2=C(C=C1)C(=NCC2)CC3=CC=CC=C3CCCl
InChI
InChI=1S/C19H20ClNO/c1-22-17-6-7-18-16(12-17)9-11-21-19(18)13-15-5-3-2-4-14(15)8-10-20/h2-7,12H,8-11,13H2,1H3
InChIKey
ZCZNZPWPOCCNEU-UHFFFAOYSA-N
Compound name
1-[[2-(2-chloroethyl)phenyl]methyl]-6-methoxy-3,4-dihydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.12335 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.13063 173.8
[M+Na]+ 336.11257 182.1
[M-H]- 312.11607 179.2
[M+NH4]+ 331.15717 189.0
[M+K]+ 352.08651 175.2
[M+H-H2O]+ 296.12061 165.0
[M+HCOO]- 358.12155 188.9
[M+CH3COO]- 372.13720 184.6
[M+Na-2H]- 334.09802 178.4
[M]+ 313.12280 177.0
[M]- 313.12390 177.0
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.