CID 63565

75159-26-1

Structural Information

Molecular Formula
C16H16N4O
SMILES
C1=CC=C(C=C1)NCNCN2C=NC3=CC=CC=C3C2=O
InChI
InChI=1S/C16H16N4O/c21-16-14-8-4-5-9-15(14)19-12-20(16)11-17-10-18-13-6-2-1-3-7-13/h1-9,12,17-18H,10-11H2
InChIKey
AHBWHPNKDOFEQX-UHFFFAOYSA-N
Compound name
3-[(anilinomethylamino)methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.13242 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.13970 162.0
[M+Na]+ 303.12164 169.4
[M-H]- 279.12514 166.7
[M+NH4]+ 298.16624 175.2
[M+K]+ 319.09558 163.6
[M+H-H2O]+ 263.12968 151.8
[M+HCOO]- 325.13062 185.2
[M+CH3COO]- 339.14627 172.9
[M+Na-2H]- 301.10709 172.1
[M]+ 280.13187 161.5
[M]- 280.13297 161.5
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.