CID 3075329

175215-31-3

Structural Information

Molecular Formula
C16H25N5O3S
SMILES
CC1=CC2=NC(=NN2N=C1OCC3(CCCCC3)CCS(=O)(=O)N)C
InChI
InChI=1S/C16H25N5O3S/c1-12-10-14-18-13(2)19-21(14)20-15(12)24-11-16(6-4-3-5-7-16)8-9-25(17,22)23/h10H,3-9,11H2,1-2H3,(H2,17,22,23)
InChIKey
REMOABBRHUVCDB-UHFFFAOYSA-N
Compound name
2-[1-[(2,7-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxymethyl]cyclohexyl]ethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

367.16782 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.17510 183.4
[M+Na]+ 390.15704 193.4
[M+NH4]+ 385.20164 189.7
[M+K]+ 406.13098 186.8
[M-H]- 366.16054 183.7
[M+Na-2H]- 388.14249 188.7
[M]+ 367.16727 185.2
[M]- 367.16837 185.2
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