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

30
Patents

316.13757 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.144846 175.8
[M+Na]+ 339.126788 183.9
[M-H]- 315.130294 181.9
[M+NH4]+ 334.171393 190.0
[M+K]+ 355.100728 175.3
[M+H-H2O]+ 299.134830 164.7
[M+HCOO]- 361.135771 193.8
[M+CH3COO]- 375.151421 185.5
[M+Na-2H]- 337.112236 181.7
[M]+ 316.13702142 169.4
[M]- 316.13811858 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

patents stripe