CID 63561

4(3h)-quinazolinone, 3-((((dimethylamino)methyl)amino)methyl)-, dihydrochloride

Structural Information

Molecular Formula
C12H16N4O
SMILES
CN(C)CNCN1C=NC2=CC=CC=C2C1=O
InChI
InChI=1S/C12H16N4O/c1-15(2)7-13-8-16-9-14-11-6-4-3-5-10(11)12(16)17/h3-6,9,13H,7-8H2,1-2H3
InChIKey
ZRVJGFFPHBXEBB-UHFFFAOYSA-N
Compound name
3-[[(dimethylamino)methylamino]methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.13242 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.13970 151.1
[M+Na]+ 255.12164 163.9
[M+NH4]+ 250.16624 158.8
[M+K]+ 271.09558 157.2
[M-H]- 231.12514 154.0
[M+Na-2H]- 253.10709 158.2
[M]+ 232.13187 153.5
[M]- 232.13297 153.5
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.