CID 3071110

87296-75-1

Structural Information

Molecular Formula
C15H22ClN5O5S
SMILES
CCN(CC)N1C(=O)C2=CC(=C(C=C2N(C1=O)C(N(C)C)O)Cl)S(=O)(=O)N
InChI
InChI=1S/C15H22ClN5O5S/c1-5-19(6-2)21-13(22)9-7-12(27(17,25)26)10(16)8-11(9)20(15(21)24)14(23)18(3)4/h7-8,14,23H,5-6H2,1-4H3,(H2,17,25,26)
InChIKey
CMFGBOLYQAAPFO-UHFFFAOYSA-N
Compound name
7-chloro-3-(diethylamino)-1-[dimethylamino(hydroxy)methyl]-2,4-dioxoquinazoline-6-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.10303 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.11031 192.8
[M+Na]+ 442.09225 201.8
[M+NH4]+ 437.13685 196.1
[M+K]+ 458.06619 197.9
[M-H]- 418.09575 192.3
[M+Na-2H]- 440.07770 194.4
[M]+ 419.10248 194.2
[M]- 419.10358 194.2
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.