CID 135407313

2-amino-6-(3-pyridylmethylamino)-3h-quinazolin-4-one

Structural Information

Molecular Formula
C14H13N5O
SMILES
C1=CC(=CN=C1)CNC2=CC3=C(C=C2)N=C(NC3=O)N
InChI
InChI=1S/C14H13N5O/c15-14-18-12-4-3-10(6-11(12)13(20)19-14)17-8-9-2-1-5-16-7-9/h1-7,17H,8H2,(H3,15,18,19,20)
InChIKey
COYYVSNFRDSHEJ-UHFFFAOYSA-N
Compound name
2-amino-6-(pyridin-3-ylmethylamino)-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.112 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.11928 159.7
[M+Na]+ 290.10122 168.7
[M-H]- 266.10472 162.1
[M+NH4]+ 285.14582 171.5
[M+K]+ 306.07516 161.8
[M+H-H2O]+ 250.10926 149.8
[M+HCOO]- 312.11020 180.1
[M+CH3COO]- 326.12585 170.2
[M+Na-2H]- 288.08667 168.7
[M]+ 267.11145 156.9
[M]- 267.11255 156.9
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

No patent data available for this compound.