CID 516576

92144-24-6

Structural Information

Molecular Formula
C18H26N6O2S
SMILES
C1CCN(CC1)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)N=C(N=C4N)N
InChI
InChI=1S/C18H26N6O2S/c19-17-15-12-14(4-5-16(15)21-18(20)22-17)27(25,26)24-10-6-13(7-11-24)23-8-2-1-3-9-23/h4-5,12-13H,1-3,6-11H2,(H4,19,20,21,22)
InChIKey
DLJDKAQKWACKIC-UHFFFAOYSA-N
Compound name
6-(4-piperidin-1-ylpiperidin-1-yl)sulfonylquinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

390.1838 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.19108 191.0
[M+Na]+ 413.17302 195.3
[M-H]- 389.17652 193.6
[M+NH4]+ 408.21762 196.6
[M+K]+ 429.14696 188.5
[M+H-H2O]+ 373.18106 180.3
[M+HCOO]- 435.18200 196.2
[M+CH3COO]- 449.19765 196.6
[M+Na-2H]- 411.15847 192.6
[M]+ 390.18325 182.9
[M]- 390.18435 182.9
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.