CID 129849570

7-fluoro-1,3-diphenylisoquinoline-1-amine

Structural Information

Molecular Formula
C21H17FN2
SMILES
C1=CC=C(C=C1)C2=CC3=C(C=C(C=C3)F)C(N2)(C4=CC=CC=C4)N
InChI
InChI=1S/C21H17FN2/c22-18-12-11-16-13-20(15-7-3-1-4-8-15)24-21(23,19(16)14-18)17-9-5-2-6-10-17/h1-14,24H,23H2
InChIKey
XPTSCAXJKHLALF-UHFFFAOYSA-N
Compound name
7-fluoro-1,3-diphenyl-2H-isoquinolin-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

316.13757 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.14485 175.8
[M+Na]+ 339.12679 183.9
[M-H]- 315.13029 181.9
[M+NH4]+ 334.17139 190.0
[M+K]+ 355.10073 175.3
[M+H-H2O]+ 299.13483 164.7
[M+HCOO]- 361.13577 193.8
[M+CH3COO]- 375.15142 185.5
[M+Na-2H]- 337.11224 181.7
[M]+ 316.13702 169.4
[M]- 316.13812 169.4
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

No patent data available for this compound.