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 152.2
[M-H]- 202.09859 146.3
[M+NH4]+ 221.13969 160.9
[M+K]+ 242.06903 149.8
[M+H-H2O]+ 186.10313 134.5
[M+HCOO]- 248.10407 165.8
[M+CH3COO]- 262.11972 192.0
[M+Na-2H]- 224.08054 151.5
[M]+ 203.10532 145.2
[M]- 203.10642 145.2
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.