CID 11989564

Schembl14344385

Structural Information

Molecular Formula
C18H12BrN5
SMILES
C1=CC(=CC(=C1)Br)C2=NC3=C(C=CC=N3)C(=N2)NC4=CC=NC=C4
InChI
InChI=1S/C18H12BrN5/c19-13-4-1-3-12(11-13)16-23-17-15(5-2-8-21-17)18(24-16)22-14-6-9-20-10-7-14/h1-11H,(H,20,21,22,23,24)
InChIKey
SIFPPMVIILHGAN-UHFFFAOYSA-N
Compound name
2-(3-bromophenyl)-N-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

377.02762 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.03490 177.6
[M+Na]+ 400.01684 188.9
[M-H]- 376.02034 185.2
[M+NH4]+ 395.06144 188.2
[M+K]+ 415.99078 174.6
[M+H-H2O]+ 360.02488 172.9
[M+HCOO]- 422.02582 194.7
[M+CH3COO]- 436.04147 188.9
[M+Na-2H]- 398.00229 188.3
[M]+ 377.02707 194.9
[M]- 377.02817 194.9
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