CID 32719

24853-83-6

Structural Information

Molecular Formula
C16H15N
SMILES
C1CN=C(C2=CC=CC=C21)CC3=CC=CC=C3
InChI
InChI=1S/C16H15N/c1-2-6-13(7-3-1)12-16-15-9-5-4-8-14(15)10-11-17-16/h1-9H,10-12H2
InChIKey
BQIIGTSQOCWPDH-UHFFFAOYSA-N
Compound name
1-benzyl-3,4-dihydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

58
Patents

221.12045 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.12773 149.4
[M+Na]+ 244.10967 156.5
[M-H]- 220.11317 155.0
[M+NH4]+ 239.15427 166.9
[M+K]+ 260.08361 151.2
[M+H-H2O]+ 204.11771 140.7
[M+HCOO]- 266.11865 170.1
[M+CH3COO]- 280.13430 161.5
[M+Na-2H]- 242.09512 157.9
[M]+ 221.11990 147.1
[M]- 221.12100 147.1
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.