CID 3058906

75787-40-5

Structural Information

Molecular Formula
C10H11ClN4O4S
SMILES
CN(C)N1C(=O)C2=CC(=C(C=C2NC1=O)Cl)S(=O)(=O)N
InChI
InChI=1S/C10H11ClN4O4S/c1-14(2)15-9(16)5-3-8(20(12,18)19)6(11)4-7(5)13-10(15)17/h3-4H,1-2H3,(H,13,17)(H2,12,18,19)
InChIKey
FIYDWCMKQAUBIN-UHFFFAOYSA-N
Compound name
7-chloro-3-(dimethylamino)-2,4-dioxo-1H-quinazoline-6-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.01895 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.02623 166.3
[M+Na]+ 341.00817 178.0
[M+NH4]+ 336.05277 171.4
[M+K]+ 356.98211 172.5
[M-H]- 317.01167 166.0
[M+Na-2H]- 338.99362 169.8
[M]+ 318.01840 168.3
[M]- 318.01950 168.3
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.