CID 8281

Sulfadicramide

Structural Information

Molecular Formula
C11H14N2O3S
SMILES
CC(=CC(=O)NS(=O)(=O)C1=CC=C(C=C1)N)C
InChI
InChI=1S/C11H14N2O3S/c1-8(2)7-11(14)13-17(15,16)10-5-3-9(12)4-6-10/h3-7H,12H2,1-2H3,(H,13,14)
InChIKey
XRVJPLDTMUSSDE-UHFFFAOYSA-N
Compound name
N-(4-aminophenyl)sulfonyl-3-methylbut-2-enamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

1887
Patents

254.07251 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.07979 155.6
[M+Na]+ 277.06173 161.9
[M-H]- 253.06523 158.7
[M+NH4]+ 272.10633 172.0
[M+K]+ 293.03567 158.4
[M+H-H2O]+ 237.06977 149.1
[M+HCOO]- 299.07071 173.1
[M+CH3COO]- 313.08636 195.1
[M+Na-2H]- 275.04718 157.2
[M]+ 254.07196 155.6
[M]- 254.07306 155.6
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.