CID 16227773

929975-63-3

Structural Information

Molecular Formula
C11H15N3O3S
SMILES
CC1=CC(=NC2=C1C=NN2C(C)C)OS(=O)(=O)C
InChI
InChI=1S/C11H15N3O3S/c1-7(2)14-11-9(6-12-14)8(3)5-10(13-11)17-18(4,15)16/h5-7H,1-4H3
InChIKey
SKVGSPUDSZLUHO-UHFFFAOYSA-N
Compound name
(4-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-6-yl) methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.0834 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.09068 159.2
[M+Na]+ 292.07262 171.5
[M-H]- 268.07612 161.5
[M+NH4]+ 287.11722 175.9
[M+K]+ 308.04656 168.5
[M+H-H2O]+ 252.08066 152.8
[M+HCOO]- 314.08160 174.6
[M+CH3COO]- 328.09725 195.7
[M+Na-2H]- 290.05807 162.4
[M]+ 269.08285 167.6
[M]- 269.08395 167.6
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

No patent data available for this compound.