CID 3071108

Brn 5105472

Structural Information

Molecular Formula
C13H14ClN3O3
SMILES
CN1C2=C(C=CC(=C2)Cl)C(=O)N(C1=O)N3CCOCC3
InChI
InChI=1S/C13H14ClN3O3/c1-15-11-8-9(14)2-3-10(11)12(18)17(13(15)19)16-4-6-20-7-5-16/h2-3,8H,4-7H2,1H3
InChIKey
WPPCJBGPPIBPQJ-UHFFFAOYSA-N
Compound name
7-chloro-1-methyl-3-morpholin-4-ylquinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.07236 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.07964 164.9
[M+Na]+ 318.06158 175.9
[M-H]- 294.06508 169.2
[M+NH4]+ 313.10618 176.9
[M+K]+ 334.03552 171.5
[M+H-H2O]+ 278.06962 155.3
[M+HCOO]- 340.07056 176.0
[M+CH3COO]- 354.08621 176.0
[M+Na-2H]- 316.04703 169.6
[M]+ 295.07181 166.9
[M]- 295.07291 166.9
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.