CID 10267580

2-(6-methylpyridin-2-yl)-n-pyridin-4-ylquinazolin-4-amine

Structural Information

Molecular Formula
C19H15N5
SMILES
CC1=NC(=CC=C1)C2=NC3=CC=CC=C3C(=N2)NC4=CC=NC=C4
InChI
InChI=1S/C19H15N5/c1-13-5-4-8-17(21-13)19-23-16-7-3-2-6-15(16)18(24-19)22-14-9-11-20-12-10-14/h2-12H,1H3,(H,20,22,23,24)
InChIKey
JONFDFIXMPXTRH-UHFFFAOYSA-N
Compound name
2-(6-methylpyridin-2-yl)-N-pyridin-4-ylquinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

20
Patents

313.13275 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.14003 175.9
[M+Na]+ 336.12197 185.0
[M-H]- 312.12547 181.1
[M+NH4]+ 331.16657 185.0
[M+K]+ 352.09591 176.8
[M+H-H2O]+ 296.13001 163.1
[M+HCOO]- 358.13095 194.7
[M+CH3COO]- 372.14660 185.6
[M+Na-2H]- 334.10742 185.4
[M]+ 313.13220 174.9
[M]- 313.13330 174.9
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