CID 30341

Brn 3100646

Structural Information

Molecular Formula
C13H20N2O3S
SMILES
CC(C)NNC(=O)C1=CC=C(C=C1)S(=O)(=O)C(C)C
InChI
InChI=1S/C13H20N2O3S/c1-9(2)14-15-13(16)11-5-7-12(8-6-11)19(17,18)10(3)4/h5-10,14H,1-4H3,(H,15,16)
InChIKey
ARWUABXTKCXHSC-UHFFFAOYSA-N
Compound name
N'-propan-2-yl-4-propan-2-ylsulfonylbenzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.11948 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.126756 164.5
[M+Na]+ 307.108698 169.3
[M-H]- 283.112204 167.8
[M+NH4]+ 302.153303 179.8
[M+K]+ 323.082638 166.9
[M+H-H2O]+ 267.116740 157.6
[M+HCOO]- 329.117681 180.8
[M+CH3COO]- 343.133331 204.1
[M+Na-2H]- 305.094146 165.2
[M]+ 284.11893142 166.4
[M]- 284.12002858 166.4
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.