CID 3058910

Brn 5133842

Structural Information

Molecular Formula
C12H15ClN4O4S
SMILES
CCN(CC)N1C(=O)C2=CC(=C(C=C2NC1=O)Cl)S(=O)(=O)N
InChI
InChI=1S/C12H15ClN4O4S/c1-3-16(4-2)17-11(18)7-5-10(22(14,20)21)8(13)6-9(7)15-12(17)19/h5-6H,3-4H2,1-2H3,(H,15,19)(H2,14,20,21)
InChIKey
FYCRRVLNEJXJNJ-UHFFFAOYSA-N
Compound name
7-chloro-3-(diethylamino)-2,4-dioxo-1H-quinazoline-6-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.05026 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.05754 173.0
[M+Na]+ 369.03948 184.0
[M-H]- 345.04298 175.6
[M+NH4]+ 364.08408 185.8
[M+K]+ 385.01342 178.5
[M+H-H2O]+ 329.04752 166.8
[M+HCOO]- 391.04846 184.1
[M+CH3COO]- 405.06411 213.1
[M+Na-2H]- 367.02493 176.6
[M]+ 346.04971 179.2
[M]- 346.05081 179.2
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.