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 190.9
[M+Na]+ 442.09225 199.7
[M-H]- 418.09575 194.7
[M+NH4]+ 437.13685 200.9
[M+K]+ 458.06619 196.7
[M+H-H2O]+ 402.10029 184.1
[M+HCOO]- 464.10123 201.6
[M+CH3COO]- 478.11688 235.0
[M+Na-2H]- 440.07770 192.2
[M]+ 419.10248 199.9
[M]- 419.10358 199.9
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.