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 185.4
[M+Na]+ 390.15704 194.0
[M-H]- 366.16054 187.4
[M+NH4]+ 385.20164 197.3
[M+K]+ 406.13098 189.3
[M+H-H2O]+ 350.16508 176.9
[M+HCOO]- 412.16602 196.4
[M+CH3COO]- 426.18167 213.4
[M+Na-2H]- 388.14249 188.5
[M]+ 367.16727 188.6
[M]- 367.16837 188.6
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