CID 9907148

227471-63-8

Structural Information

Molecular Formula
C16H23N5O3S
SMILES
C1CCN(CC1)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)N=NN4O
InChI
InChI=1S/C16H23N5O3S/c22-21-16-12-14(4-5-15(16)17-18-21)25(23,24)20-10-6-13(7-11-20)19-8-2-1-3-9-19/h4-5,12-13,22H,1-3,6-11H2
InChIKey
PLKGDYJDSFFROZ-UHFFFAOYSA-N
Compound name
1-hydroxy-6-(4-piperidin-1-ylpiperidin-1-yl)sulfonylbenzotriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

365.15216 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.15944 181.8
[M+Na]+ 388.14138 192.8
[M+NH4]+ 383.18598 187.2
[M+K]+ 404.11532 188.0
[M-H]- 364.14488 183.1
[M+Na-2H]- 386.12683 186.6
[M]+ 365.15161 183.9
[M]- 365.15271 183.9
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