CID 3078151

3(2h)-isoquinolinimine, 1,4-dihydro-n-phenyl-, hydriodide

Structural Information

Molecular Formula
C15H14N2
SMILES
C1C2=CC=CC=C2CN=C1NC3=CC=CC=C3
InChI
InChI=1S/C15H14N2/c1-2-8-14(9-3-1)17-15-10-12-6-4-5-7-13(12)11-16-15/h1-9H,10-11H2,(H,16,17)
InChIKey
BFOLTBDPISSFQS-UHFFFAOYSA-N
Compound name
N-phenyl-1,4-dihydroisoquinolin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.11569 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.122966 148.0
[M+Na]+ 245.104908 154.8
[M-H]- 221.108414 153.8
[M+NH4]+ 240.149513 165.3
[M+K]+ 261.078848 149.7
[M+H-H2O]+ 205.112950 139.3
[M+HCOO]- 267.113891 170.2
[M+CH3COO]- 281.129541 160.1
[M+Na-2H]- 243.090356 157.6
[M]+ 222.11514142 144.8
[M]- 222.11623858 144.8
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.