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]+ 204.113146 142.7
[M+Na]+ 226.095088 152.2
[M-H]- 202.098594 146.3
[M+NH4]+ 221.139693 160.9
[M+K]+ 242.069028 149.8
[M+H-H2O]+ 186.103130 134.5
[M+HCOO]- 248.104071 165.8
[M+CH3COO]- 262.119721 192.0
[M+Na-2H]- 224.080536 151.5
[M]+ 203.10532142 145.2
[M]- 203.10641858 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.