CID 32719

1-benzyl-3,4-dihydroisoquinoline

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

39
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 147.2
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