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

29
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

literature stripe

Patent stripe

patents stripe