CID 51060021

4-(((((4-aminophenyl)sulfonyl)amino)carbonyl)amino)thiomorpholine 1,1-dioxide

Structural Information

Molecular Formula
C11H16N4O5S2
SMILES
C1CS(=O)(=O)CCN1NC(=O)NS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C11H16N4O5S2/c12-9-1-3-10(4-2-9)22(19,20)14-11(16)13-15-5-7-21(17,18)8-6-15/h1-4H,5-8,12H2,(H2,13,14,16)
InChIKey
HNSLDQAGELPQMU-UHFFFAOYSA-N
Compound name
1-(4-aminophenyl)sulfonyl-3-(1,1-dioxo-1,4-thiazinan-4-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.0562 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.06348 171.2
[M+Na]+ 371.04542 176.0
[M-H]- 347.04892 174.2
[M+NH4]+ 366.09002 183.3
[M+K]+ 387.01936 171.3
[M+H-H2O]+ 331.05346 164.2
[M+HCOO]- 393.05440 181.4
[M+CH3COO]- 407.07005 208.6
[M+Na-2H]- 369.03087 176.2
[M]+ 348.05565 168.8
[M]- 348.05675 168.8
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.