CID 613037

N-phenylisoquinolin-1-amine

Structural Information

Molecular Formula
C15H12N2
SMILES
C1=CC=C(C=C1)NC2=NC=CC3=CC=CC=C32
InChI
InChI=1S/C15H12N2/c1-2-7-13(8-3-1)17-15-14-9-5-4-6-12(14)10-11-16-15/h1-11H,(H,16,17)
InChIKey
IVKBQKXRJFEWRY-UHFFFAOYSA-N
Compound name
N-phenylisoquinolin-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

39
Patents

220.10005 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.10733 146.6
[M+Na]+ 243.08927 154.4
[M-H]- 219.09277 152.7
[M+NH4]+ 238.13387 164.0
[M+K]+ 259.06321 149.1
[M+H-H2O]+ 203.09731 138.0
[M+HCOO]- 265.09825 170.2
[M+CH3COO]- 279.11390 159.2
[M+Na-2H]- 241.07472 157.3
[M]+ 220.09950 144.9
[M]- 220.10060 144.9
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