CID 32411

1-methyl-8-phenyl-3,4-dihydroisoquinoline

Structural Information

Molecular Formula
C16H15N
SMILES
CC1=NCCC2=C1C(=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H15N/c1-12-16-14(10-11-17-12)8-5-9-15(16)13-6-3-2-4-7-13/h2-9H,10-11H2,1H3
InChIKey
RCJSMFJWNSUQGP-UHFFFAOYSA-N
Compound name
1-methyl-8-phenyl-3,4-dihydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.12045 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.127726 149.5
[M+Na]+ 244.109668 157.6
[M-H]- 220.113174 155.6
[M+NH4]+ 239.154273 167.4
[M+K]+ 260.083608 152.4
[M+H-H2O]+ 204.117710 141.1
[M+HCOO]- 266.118651 170.3
[M+CH3COO]- 280.134301 162.0
[M+Na-2H]- 242.095116 157.3
[M]+ 221.11990142 147.7
[M]- 221.12099858 147.7
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.