CID 3058907

75787-41-6

Structural Information

Molecular Formula
C11H12ClN3O2
SMILES
CN1C2=C(C=CC(=C2)Cl)C(=O)N(C1=O)N(C)C
InChI
InChI=1S/C11H12ClN3O2/c1-13(2)15-10(16)8-5-4-7(12)6-9(8)14(3)11(15)17/h4-6H,1-3H3
InChIKey
NXFPFACEISPJCL-UHFFFAOYSA-N
Compound name
7-chloro-3-(dimethylamino)-1-methylquinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

253.0618 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.06908 150.8
[M+Na]+ 276.05102 163.8
[M-H]- 252.05452 155.3
[M+NH4]+ 271.09562 168.5
[M+K]+ 292.02496 159.9
[M+H-H2O]+ 236.05906 143.8
[M+HCOO]- 298.06000 169.5
[M+CH3COO]- 312.07565 200.7
[M+Na-2H]- 274.03647 156.8
[M]+ 253.06125 157.2
[M]- 253.06235 157.2
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

patents stripe