CID 28309111

1001915-28-1

Structural Information

Molecular Formula
C14H9ClN4
SMILES
C1=CC=NC(=C1)C2=NC(=CC(=N2)Cl)C3=CN=CC=C3
InChI
InChI=1S/C14H9ClN4/c15-13-8-12(10-4-3-6-16-9-10)18-14(19-13)11-5-1-2-7-17-11/h1-9H
InChIKey
HIPUTSGQMORKHH-UHFFFAOYSA-N
Compound name
4-chloro-2-pyridin-2-yl-6-pyridin-3-ylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

268.05157 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.05885 158.8
[M+Na]+ 291.04079 169.2
[M-H]- 267.04429 162.8
[M+NH4]+ 286.08539 169.8
[M+K]+ 307.01473 161.7
[M+H-H2O]+ 251.04883 147.2
[M+HCOO]- 313.04977 173.8
[M+CH3COO]- 327.06542 169.8
[M+Na-2H]- 289.02624 167.4
[M]+ 268.05102 159.6
[M]- 268.05212 159.6
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