CID 208382

N-(4-diazo-3-oxobutyl)-p-toluenesulfonamide

Structural Information

Molecular Formula
C11H13N3O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)C=[N+]=[N-]
InChI
InChI=1S/C11H13N3O3S/c1-9-2-4-11(5-3-9)18(16,17)14-7-6-10(15)8-13-12/h2-5,8,14H,6-7H2,1H3
InChIKey
OUBFCJHJMOPEQB-UHFFFAOYSA-N
Compound name
N-(4-diazo-3-oxobutyl)-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

267.06775 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.07503 156.4
[M+Na]+ 290.05697 162.3
[M-H]- 266.06047 161.1
[M+NH4]+ 285.10157 172.3
[M+K]+ 306.03091 153.8
[M+H-H2O]+ 250.06501 153.7
[M+HCOO]- 312.06595 178.6
[M+CH3COO]- 326.08160 193.6
[M+Na-2H]- 288.04242 163.2
[M]+ 267.06720 155.7
[M]- 267.06830 155.7
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

No patent data available for this compound.