CID 3136192

1-boc-2-(4-nitrobenzenesulfonyl)hydrazine

Structural Information

Molecular Formula
C11H15N3O6S
SMILES
CC(C)(C)OC(=O)NNS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C11H15N3O6S/c1-11(2,3)20-10(15)12-13-21(18,19)9-6-4-8(5-7-9)14(16)17/h4-7,13H,1-3H3,(H,12,15)
InChIKey
NOJCYFMYHGQHAM-UHFFFAOYSA-N
Compound name
tert-butyl N-[(4-nitrophenyl)sulfonylamino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

317.06815 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.075426 164.4
[M+Na]+ 340.057368 168.6
[M-H]- 316.060874 167.8
[M+NH4]+ 335.101973 177.2
[M+K]+ 356.031308 162.9
[M+H-H2O]+ 300.065410 161.9
[M+HCOO]- 362.066351 183.0
[M+CH3COO]- 376.082001 198.0
[M+Na-2H]- 338.042816 172.8
[M]+ 317.06760142 165.2
[M]- 317.06869858 165.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe