CID 3067516

Brn 5150940

Structural Information

Molecular Formula
C15H20N4O6S
SMILES
CCCCNC(=O)C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(=O)C(=O)NC
InChI
InChI=1S/C15H20N4O6S/c1-3-4-9-17-13(21)14(22)18-10-5-7-11(8-6-10)26(24,25)19-15(23)12(20)16-2/h5-8H,3-4,9H2,1-2H3,(H,16,20)(H,17,21)(H,18,22)(H,19,23)
InChIKey
YSIYIDGXFPOMIB-UHFFFAOYSA-N
Compound name
N'-[4-[[2-(butylamino)-2-oxoacetyl]amino]phenyl]sulfonyl-N-methyloxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.11035 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.11763 186.2
[M+Na]+ 407.09957 188.1
[M-H]- 383.10307 188.7
[M+NH4]+ 402.14417 196.1
[M+K]+ 423.07351 186.4
[M+H-H2O]+ 367.10761 177.6
[M+HCOO]- 429.10855 203.7
[M+CH3COO]- 443.12420 222.9
[M+Na-2H]- 405.08502 187.1
[M]+ 384.10980 188.0
[M]- 384.11090 188.0
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.