CID 23586145

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

Structural Information

Molecular Formula
C18H22N6O3S
SMILES
C1CCC(CC1)COC2=NC3=NC=NN3C(=C2)NC4=CC=C(C=C4)S(=O)(=O)N
InChI
InChI=1S/C18H22N6O3S/c19-28(25,26)15-8-6-14(7-9-15)22-16-10-17(23-18-20-12-21-24(16)18)27-11-13-4-2-1-3-5-13/h6-10,12-13,22H,1-5,11H2,(H2,19,25,26)
InChIKey
NMAZGYDYIYLSLJ-UHFFFAOYSA-N
Compound name
4-[[5-(cyclohexylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

40
Patents

402.1474 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.15468 189.6
[M+Na]+ 425.13662 196.8
[M-H]- 401.14012 194.8
[M+NH4]+ 420.18122 197.1
[M+K]+ 441.11056 190.6
[M+H-H2O]+ 385.14466 179.5
[M+HCOO]- 447.14560 202.4
[M+CH3COO]- 461.16125 197.7
[M+Na-2H]- 423.12207 194.1
[M]+ 402.14685 189.9
[M]- 402.14795 189.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.