CID 9965429

152460-10-1

Structural Information

Molecular Formula
C16H15N5
SMILES
CC1=C(C=C(C=C1)N)NC2=NC=CC(=N2)C3=CN=CC=C3
InChI
InChI=1S/C16H15N5/c1-11-4-5-13(17)9-15(11)21-16-19-8-6-14(20-16)12-3-2-7-18-10-12/h2-10H,17H2,1H3,(H,19,20,21)
InChIKey
QGAIPGVQJVGBIA-UHFFFAOYSA-N
Compound name
4-methyl-3-N-(4-pyridin-3-ylpyrimidin-2-yl)benzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

437
Patents

277.13275 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.14003 165.3
[M+Na]+ 300.12197 181.4
[M+NH4]+ 295.16657 173.1
[M+K]+ 316.09591 173.1
[M-H]- 276.12547 172.1
[M+Na-2H]- 298.10742 177.4
[M]+ 277.13220 169.6
[M]- 277.13330 169.6
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