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]+ 223.12297 148.0
[M+Na]+ 245.10491 154.8
[M-H]- 221.10841 153.8
[M+NH4]+ 240.14951 165.3
[M+K]+ 261.07885 149.7
[M+H-H2O]+ 205.11295 139.3
[M+HCOO]- 267.11389 170.2
[M+CH3COO]- 281.12954 160.1
[M+Na-2H]- 243.09036 157.6
[M]+ 222.11514 144.8
[M]- 222.11624 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.