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]+ 285.12676 164.5
[M+Na]+ 307.10870 169.3
[M-H]- 283.11220 167.8
[M+NH4]+ 302.15330 179.8
[M+K]+ 323.08264 166.9
[M+H-H2O]+ 267.11674 157.6
[M+HCOO]- 329.11768 180.8
[M+CH3COO]- 343.13333 204.1
[M+Na-2H]- 305.09415 165.2
[M]+ 284.11893 166.4
[M]- 284.12003 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.