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]+ 233.139696 151.1
[M+Na]+ 255.121638 159.2
[M-H]- 231.125144 154.4
[M+NH4]+ 250.166243 167.6
[M+K]+ 271.095578 156.5
[M+H-H2O]+ 215.129680 142.3
[M+HCOO]- 277.130621 174.9
[M+CH3COO]- 291.146271 200.0
[M+Na-2H]- 253.107086 159.8
[M]+ 232.13187142 153.2
[M]- 232.13296858 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.