CID 51358113

Torin 2

Structural Information

Molecular Formula
C24H15F3N4O
SMILES
C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F
InChI
InChI=1S/C24H15F3N4O/c25-24(26,27)17-2-1-3-18(11-17)31-22(32)9-6-16-13-29-20-7-4-14(10-19(20)23(16)31)15-5-8-21(28)30-12-15/h1-13H,(H2,28,30)
InChIKey
GUXXEUUYCAYESJ-UHFFFAOYSA-N
Compound name
9-(6-aminopyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

75
References

1127
Patents

432.11978 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.12706 208.2
[M+Na]+ 455.10900 220.4
[M-H]- 431.11250 212.3
[M+NH4]+ 450.15360 214.8
[M+K]+ 471.08294 209.9
[M+H-H2O]+ 415.11704 192.6
[M+HCOO]- 477.11798 222.0
[M+CH3COO]- 491.13363 215.9
[M+Na-2H]- 453.09445 214.0
[M]+ 432.11923 205.8
[M]- 432.12033 205.8
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