CID 11989558

2-(2,5-difluorophenyl)-n4-(4-pyridyl)pyrido[2,3-d]pyrimidine-4,7-diamine

Structural Information

Molecular Formula
C18H12F2N6
SMILES
C1=CC(=C(C=C1F)C2=NC3=C(C=CC(=N3)N)C(=N2)NC4=CC=NC=C4)F
InChI
InChI=1S/C18H12F2N6/c19-10-1-3-14(20)13(9-10)18-25-16(23-11-5-7-22-8-6-11)12-2-4-15(21)24-17(12)26-18/h1-9H,(H3,21,22,23,24,25,26)
InChIKey
GYJLTUZAJZMQIN-UHFFFAOYSA-N
Compound name
2-(2,5-difluorophenyl)-4-N-pyridin-4-ylpyrido[2,3-d]pyrimidine-4,7-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.10916 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.11644 182.9
[M+Na]+ 373.09838 193.6
[M-H]- 349.10188 186.0
[M+NH4]+ 368.14298 190.4
[M+K]+ 389.07232 184.3
[M+H-H2O]+ 333.10642 168.7
[M+HCOO]- 395.10736 200.4
[M+CH3COO]- 409.12301 191.7
[M+Na-2H]- 371.08383 189.9
[M]+ 350.10861 179.2
[M]- 350.10971 179.2
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.