CID 11574606

4-{[5-(cyclohexyloxy)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}benzenesulfonamide

Structural Information

Molecular Formula
C17H20N6O3S
SMILES
C1CCC(CC1)OC2=NC3=NC=NN3C(=C2)NC4=CC=C(C=C4)S(=O)(=O)N
InChI
InChI=1S/C17H20N6O3S/c18-27(24,25)14-8-6-12(7-9-14)21-15-10-16(22-17-19-11-20-23(15)17)26-13-4-2-1-3-5-13/h6-11,13,21H,1-5H2,(H2,18,24,25)
InChIKey
RPJIMTALCNCQLV-UHFFFAOYSA-N
Compound name
4-[(5-cyclohexyloxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

32
Patents

388.13177 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.13905 185.7
[M+Na]+ 411.12099 193.4
[M-H]- 387.12449 191.0
[M+NH4]+ 406.16559 193.8
[M+K]+ 427.09493 187.4
[M+H-H2O]+ 371.12903 175.8
[M+HCOO]- 433.12997 198.8
[M+CH3COO]- 447.14562 194.2
[M+Na-2H]- 409.10644 190.6
[M]+ 388.13122 185.6
[M]- 388.13232 185.6
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

patents stripe