CID 23586146

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

Structural Information

Molecular Formula
C17H21N7O2S
SMILES
C1CCC(CC1)NC2=NC3=NC=NN3C(=C2)NC4=CC=C(C=C4)S(=O)(=O)N
InChI
InChI=1S/C17H21N7O2S/c18-27(25,26)14-8-6-13(7-9-14)22-16-10-15(21-12-4-2-1-3-5-12)23-17-19-11-20-24(16)17/h6-12,22H,1-5H2,(H2,18,25,26)(H,19,20,21,23)
InChIKey
VPOGRVWIIVMWRI-UHFFFAOYSA-N
Compound name
4-[[5-(cyclohexylamino)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

387.14774 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.15502 183.7
[M+Na]+ 410.13696 190.9
[M-H]- 386.14046 189.1
[M+NH4]+ 405.18156 191.7
[M+K]+ 426.11090 184.2
[M+H-H2O]+ 370.14500 173.8
[M+HCOO]- 432.14594 197.8
[M+CH3COO]- 446.16159 192.0
[M+Na-2H]- 408.12241 189.7
[M]+ 387.14719 181.9
[M]- 387.14829 181.9
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