CID 3067515

Brn 5149098

Structural Information

Molecular Formula
C14H18N4O6S
SMILES
CCCNC(=O)C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(=O)C(=O)NC
InChI
InChI=1S/C14H18N4O6S/c1-3-8-16-12(20)13(21)17-9-4-6-10(7-5-9)25(23,24)18-14(22)11(19)15-2/h4-7H,3,8H2,1-2H3,(H,15,19)(H,16,20)(H,17,21)(H,18,22)
InChIKey
HBCAELKPXYYZGJ-UHFFFAOYSA-N
Compound name
N-methyl-N'-[4-[[2-oxo-2-(propylamino)acetyl]amino]phenyl]sulfonyloxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.0947 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.10198 182.0
[M+Na]+ 393.08392 184.3
[M-H]- 369.08742 184.7
[M+NH4]+ 388.12852 192.4
[M+K]+ 409.05786 182.8
[M+H-H2O]+ 353.09196 173.5
[M+HCOO]- 415.09290 199.8
[M+CH3COO]- 429.10855 220.0
[M+Na-2H]- 391.06937 183.3
[M]+ 370.09415 183.5
[M]- 370.09525 183.5
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.