CID 11989673

Schembl14344388

Structural Information

Molecular Formula
C18H11BrFN5
SMILES
C1=CC2=C(N=C1)N=C(N=C2NC3=CC=NC=C3)C4=C(C=CC(=C4)Br)F
InChI
InChI=1S/C18H11BrFN5/c19-11-3-4-15(20)14(10-11)18-24-16-13(2-1-7-22-16)17(25-18)23-12-5-8-21-9-6-12/h1-10H,(H,21,22,23,24,25)
InChIKey
HJSBEFRYKLUHMY-UHFFFAOYSA-N
Compound name
2-(5-bromo-2-fluorophenyl)-N-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

395.0182 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.02548 182.9
[M+Na]+ 418.00742 195.1
[M-H]- 394.01092 189.5
[M+NH4]+ 413.05202 193.0
[M+K]+ 433.98136 180.2
[M+H-H2O]+ 378.01546 177.3
[M+HCOO]- 440.01640 198.9
[M+CH3COO]- 454.03205 193.8
[M+Na-2H]- 415.99287 192.0
[M]+ 395.01765 199.7
[M]- 395.01875 199.7
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

patents stripe