CID 208382

P-toluenesulfonamide, n-(4-diazo-3-oxobutyl)-

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]+ 268.075026 156.4
[M+Na]+ 290.056968 162.3
[M-H]- 266.060474 161.1
[M+NH4]+ 285.101573 172.3
[M+K]+ 306.030908 153.8
[M+H-H2O]+ 250.065010 153.7
[M+HCOO]- 312.065951 178.6
[M+CH3COO]- 326.081601 193.6
[M+Na-2H]- 288.042416 163.2
[M]+ 267.06720142 155.7
[M]- 267.06829858 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.