CID 516575

56044-07-6

Structural Information

Molecular Formula
C12H15N5O2S
SMILES
C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(N=C3N)N
InChI
InChI=1S/C12H15N5O2S/c13-11-9-7-8(3-4-10(9)15-12(14)16-11)20(18,19)17-5-1-2-6-17/h3-4,7H,1-2,5-6H2,(H4,13,14,15,16)
InChIKey
OXDYABXFTBHUCI-UHFFFAOYSA-N
Compound name
6-pyrrolidin-1-ylsulfonylquinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

293.09464 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.10192 164.3
[M+Na]+ 316.08386 173.4
[M-H]- 292.08736 167.7
[M+NH4]+ 311.12846 178.2
[M+K]+ 332.05780 168.2
[M+H-H2O]+ 276.09190 156.7
[M+HCOO]- 338.09284 178.3
[M+CH3COO]- 352.10849 174.8
[M+Na-2H]- 314.06931 167.6
[M]+ 293.09409 162.5
[M]- 293.09519 162.5
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.