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 159.2
[M-H]- 231.12514 154.4
[M+NH4]+ 250.16624 167.6
[M+K]+ 271.09558 156.5
[M+H-H2O]+ 215.12968 142.3
[M+HCOO]- 277.13062 174.9
[M+CH3COO]- 291.14627 200.0
[M+Na-2H]- 253.10709 159.8
[M]+ 232.13187 153.2
[M]- 232.13297 153.2
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.