CID 516574

56044-06-5

Structural Information

Molecular Formula
C13H17N5O2S
SMILES
C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(N=C3N)N
InChI
InChI=1S/C13H17N5O2S/c14-12-10-8-9(4-5-11(10)16-13(15)17-12)21(19,20)18-6-2-1-3-7-18/h4-5,8H,1-3,6-7H2,(H4,14,15,16,17)
InChIKey
PEKBXLPDMLWTFU-UHFFFAOYSA-N
Compound name
6-piperidin-1-ylsulfonylquinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

307.1103 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.11758 168.2
[M+Na]+ 330.09952 175.7
[M-H]- 306.10302 170.5
[M+NH4]+ 325.14412 179.3
[M+K]+ 346.07346 169.9
[M+H-H2O]+ 290.10756 159.5
[M+HCOO]- 352.10850 179.4
[M+CH3COO]- 366.12415 177.3
[M+Na-2H]- 328.08497 172.9
[M]+ 307.10975 164.2
[M]- 307.11085 164.2
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.