CID 9907148

1'-[(1-hydroxy-1h-benzotriazol-6-yl)sulphonyl]-1,4'-bipiperidine

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 185.6
[M+Na]+ 388.14138 192.2
[M-H]- 364.14488 187.8
[M+NH4]+ 383.18598 193.3
[M+K]+ 404.11532 186.4
[M+H-H2O]+ 348.14942 175.8
[M+HCOO]- 410.15036 190.6
[M+CH3COO]- 424.16601 192.7
[M+Na-2H]- 386.12683 185.9
[M]+ 365.15161 182.0
[M]- 365.15271 182.0
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