CID 64092

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

Structural Information

Molecular Formula
C11H13N3O
SMILES
CN(C)CN1C=NC2=CC=CC=C2C1=O
InChI
InChI=1S/C11H13N3O/c1-13(2)8-14-7-12-10-6-4-3-5-9(10)11(14)15/h3-7H,8H2,1-2H3
InChIKey
KQFGHYBXDCDMRG-UHFFFAOYSA-N
Compound name
3-[(dimethylamino)methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.10587 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.11315 142.7
[M+Na]+ 226.09509 157.1
[M+NH4]+ 221.13969 151.2
[M+K]+ 242.06903 150.2
[M-H]- 202.09859 145.5
[M+Na-2H]- 224.08054 150.5
[M]+ 203.10532 145.5
[M]- 203.10642 145.5
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.