CID 609926

1-phenyl-3,4-dihydroisoquinoline

Structural Information

Molecular Formula
C15H13N
SMILES
C1CN=C(C2=CC=CC=C21)C3=CC=CC=C3
InChI
InChI=1S/C15H13N/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15/h1-9H,10-11H2
InChIKey
CTOQBSUYGFNMJX-UHFFFAOYSA-N
Compound name
1-phenyl-3,4-dihydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

165
Patents

207.1048 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.11208 144.7
[M+Na]+ 230.09402 152.3
[M-H]- 206.09752 150.5
[M+NH4]+ 225.13862 162.9
[M+K]+ 246.06796 147.3
[M+H-H2O]+ 190.10206 136.3
[M+HCOO]- 252.10300 165.8
[M+CH3COO]- 266.11865 157.3
[M+Na-2H]- 228.07947 153.8
[M]+ 207.10425 142.2
[M]- 207.10535 142.2
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