CID 609614

3-phenylisoquinoline

Structural Information

Molecular Formula
C15H11N
SMILES
C1=CC=C(C=C1)C2=CC3=CC=CC=C3C=N2
InChI
InChI=1S/C15H11N/c1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-16-15/h1-11H
InChIKey
RBJOTRVJJWIIER-UHFFFAOYSA-N
Compound name
3-phenylisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1047
Patents

205.08914 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.09642 143.5
[M+Na]+ 228.07836 152.2
[M-H]- 204.08186 149.7
[M+NH4]+ 223.12296 161.8
[M+K]+ 244.05230 146.9
[M+H-H2O]+ 188.08640 135.2
[M+HCOO]- 250.08734 166.0
[M+CH3COO]- 264.10299 156.6
[M+Na-2H]- 226.06381 153.6
[M]+ 205.08859 142.4
[M]- 205.08969 142.4
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