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]+ 281.139696 162.0
[M+Na]+ 303.121638 169.4
[M-H]- 279.125144 166.7
[M+NH4]+ 298.166243 175.2
[M+K]+ 319.095578 163.6
[M+H-H2O]+ 263.129680 151.8
[M+HCOO]- 325.130621 185.2
[M+CH3COO]- 339.146271 172.9
[M+Na-2H]- 301.107086 172.1
[M]+ 280.13187142 161.5
[M]- 280.13296858 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.