CID 63887

4(3h)-quinazolinone, 3-((methylamino)methyl)-, dihydrochloride

Structural Information

Molecular Formula
C10H11N3O
SMILES
CNCN1C=NC2=CC=CC=C2C1=O
InChI
InChI=1S/C10H11N3O/c1-11-6-13-7-12-9-5-3-2-4-8(9)10(13)14/h2-5,7,11H,6H2,1H3
InChIKey
AABXXOQRXWHESZ-UHFFFAOYSA-N
Compound name
3-(methylaminomethyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.09021 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.097486 138.3
[M+Na]+ 212.079428 148.1
[M-H]- 188.082934 140.6
[M+NH4]+ 207.124033 156.4
[M+K]+ 228.053368 144.5
[M+H-H2O]+ 172.087470 130.5
[M+HCOO]- 234.088411 161.2
[M+CH3COO]- 248.104061 185.5
[M+Na-2H]- 210.064876 148.3
[M]+ 189.08966142 139.1
[M]- 189.09075858 139.1
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.