CID 146155731

2-(4,4-difluoro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)quinoxaline

Structural Information

Molecular Formula
C19H15F2N3
SMILES
CC1(C(C2=CC=CC=C2C(=N1)C3=NC4=CC=CC=C4N=C3)(F)F)C
InChI
InChI=1S/C19H15F2N3/c1-18(2)19(20,21)13-8-4-3-7-12(13)17(24-18)16-11-22-14-9-5-6-10-15(14)23-16/h3-11H,1-2H3
InChIKey
BJCPVCQAQFVBHO-UHFFFAOYSA-N
Compound name
2-(4,4-difluoro-3,3-dimethylisoquinolin-1-yl)quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.1234 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.13068 178.0
[M+Na]+ 346.11262 190.2
[M-H]- 322.11612 180.5
[M+NH4]+ 341.15722 194.0
[M+K]+ 362.08656 182.5
[M+H-H2O]+ 306.12066 164.2
[M+HCOO]- 368.12160 192.3
[M+CH3COO]- 382.13725 188.1
[M+Na-2H]- 344.09807 185.6
[M]+ 323.12285 176.2
[M]- 323.12395 176.2
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.