CID 3074884

167309-33-3

Structural Information

Molecular Formula
C14H21N5O3S
SMILES
CC1=CC2=NC=NN2N=C1OCC3(CCCCC3)CS(=O)(=O)N
InChI
InChI=1S/C14H21N5O3S/c1-11-7-12-16-10-17-19(12)18-13(11)22-8-14(9-23(15,20)21)5-3-2-4-6-14/h7,10H,2-6,8-9H2,1H3,(H2,15,20,21)
InChIKey
GSGDAROOKLHPTF-UHFFFAOYSA-N
Compound name
[1-[(7-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxymethyl]cyclohexyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

339.1365 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.14378 176.6
[M+Na]+ 362.12572 185.3
[M-H]- 338.12922 178.6
[M+NH4]+ 357.17032 189.4
[M+K]+ 378.09966 181.0
[M+H-H2O]+ 322.13376 168.2
[M+HCOO]- 384.13470 188.4
[M+CH3COO]- 398.15035 206.4
[M+Na-2H]- 360.11117 181.2
[M]+ 339.13595 178.7
[M]- 339.13705 178.7
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

patents stripe