CID 16637121

2-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]acetohydrazide

Structural Information

Molecular Formula
C13H20N4O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NN
InChI
InChI=1S/C13H20N4O3S/c1-11-2-4-12(5-3-11)21(19,20)17-8-6-16(7-9-17)10-13(18)15-14/h2-5H,6-10,14H2,1H3,(H,15,18)
InChIKey
SFWJLGDQJCJPQQ-UHFFFAOYSA-N
Compound name
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.1256 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.13288 170.3
[M+Na]+ 335.11482 175.1
[M-H]- 311.11832 173.1
[M+NH4]+ 330.15942 181.4
[M+K]+ 351.08876 171.0
[M+H-H2O]+ 295.12286 161.7
[M+HCOO]- 357.12380 182.9
[M+CH3COO]- 371.13945 205.6
[M+Na-2H]- 333.10027 172.1
[M]+ 312.12505 167.3
[M]- 312.12615 167.3
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.