CID 3071116

87309-99-7

Structural Information

Molecular Formula
C13H14ClN3O2
SMILES
CN1C2=C(C=CC(=C2)Cl)C(=O)N(C1=O)N3CCCC3
InChI
InChI=1S/C13H14ClN3O2/c1-15-11-8-9(14)4-5-10(11)12(18)17(13(15)19)16-6-2-3-7-16/h4-5,8H,2-3,6-7H2,1H3
InChIKey
HFDNJHJFCLBLGH-UHFFFAOYSA-N
Compound name
7-chloro-1-methyl-3-pyrrolidin-1-ylquinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.07745 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.08473 161.4
[M+Na]+ 302.06667 173.3
[M-H]- 278.07017 165.6
[M+NH4]+ 297.11127 177.4
[M+K]+ 318.04061 167.3
[M+H-H2O]+ 262.07471 152.8
[M+HCOO]- 324.07565 175.6
[M+CH3COO]- 338.09130 173.5
[M+Na-2H]- 300.05212 163.7
[M]+ 279.07690 163.6
[M]- 279.07800 163.6
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.