CID 3070151

Butanediamide, n-hydroxy-n'-(4-(((((2-hydroxyethyl)amino)oxacetyl)amino)sulfonyl)phenyl)-

Structural Information

Molecular Formula
C14H18N4O8S
SMILES
C1=CC(=CC=C1NC(=O)CCC(=O)NO)S(=O)(=O)NC(=O)C(=O)NCCO
InChI
InChI=1S/C14H18N4O8S/c19-8-7-15-13(22)14(23)18-27(25,26)10-3-1-9(2-4-10)16-11(20)5-6-12(21)17-24/h1-4,19,24H,5-8H2,(H,15,22)(H,16,20)(H,17,21)(H,18,23)
InChIKey
IHERKYIIZPUVIQ-UHFFFAOYSA-N
Compound name
N'-hydroxy-N-[4-[[2-(2-hydroxyethylamino)-2-oxoacetyl]sulfamoyl]phenyl]butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.08453 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.09181 184.4
[M+Na]+ 425.07375 185.0
[M-H]- 401.07725 183.9
[M+NH4]+ 420.11835 191.6
[M+K]+ 441.04769 183.5
[M+H-H2O]+ 385.08179 175.8
[M+HCOO]- 447.08273 199.6
[M+CH3COO]- 461.09838 221.5
[M+Na-2H]- 423.05920 185.9
[M]+ 402.08398 185.0
[M]- 402.08508 185.0
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.