CID 516580

92144-25-7

Structural Information

Molecular Formula
C15H20N6O4S
SMILES
CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(N=C3N)N
InChI
InChI=1S/C15H20N6O4S/c1-2-25-15(22)20-5-7-21(8-6-20)26(23,24)10-3-4-12-11(9-10)13(16)19-14(17)18-12/h3-4,9H,2,5-8H2,1H3,(H4,16,17,18,19)
InChIKey
WNURERGSLOPXLN-UHFFFAOYSA-N
Compound name
ethyl 4-(2,4-diaminoquinazolin-6-yl)sulfonylpiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

380.12668 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.13396 187.2
[M+Na]+ 403.11590 193.9
[M-H]- 379.11940 188.3
[M+NH4]+ 398.16050 193.8
[M+K]+ 419.08984 188.9
[M+H-H2O]+ 363.12394 177.9
[M+HCOO]- 425.12488 195.8
[M+CH3COO]- 439.14053 219.1
[M+Na-2H]- 401.10135 189.9
[M]+ 380.12613 186.0
[M]- 380.12723 186.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.