CID 3067510

Brn 5167104

Structural Information

Molecular Formula
C16H22N4O7S
SMILES
CC(C)CNC(=O)C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(=O)C(=O)NCCO
InChI
InChI=1S/C16H22N4O7S/c1-10(2)9-18-13(22)15(24)19-11-3-5-12(6-4-11)28(26,27)20-16(25)14(23)17-7-8-21/h3-6,10,21H,7-9H2,1-2H3,(H,17,23)(H,18,22)(H,19,24)(H,20,25)
InChIKey
BFBGXILCFHDEQX-UHFFFAOYSA-N
Compound name
N-(2-hydroxyethyl)-N'-[4-[[2-(2-methylpropylamino)-2-oxoacetyl]amino]phenyl]sulfonyloxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.1209 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.12818 192.2
[M+Na]+ 437.11012 192.5
[M-H]- 413.11362 193.0
[M+NH4]+ 432.15472 199.8
[M+K]+ 453.08406 191.4
[M+H-H2O]+ 397.11816 183.5
[M+HCOO]- 459.11910 207.1
[M+CH3COO]- 473.13475 227.1
[M+Na-2H]- 435.09557 191.7
[M]+ 414.12035 193.3
[M]- 414.12145 193.3
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.