CID 3825024

2-{[3-(diethylsulfamoyl)phenyl]formamido}-3-methylbutanoic acid

Structural Information

Molecular Formula
C16H24N2O5S
SMILES
CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)O
InChI
InChI=1S/C16H24N2O5S/c1-5-18(6-2)24(22,23)13-9-7-8-12(10-13)15(19)17-14(11(3)4)16(20)21/h7-11,14H,5-6H2,1-4H3,(H,17,19)(H,20,21)
InChIKey
CCEJVYSXJSKTJR-UHFFFAOYSA-N
Compound name
2-[[3-(diethylsulfamoyl)benzoyl]amino]-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.1406 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.14788 181.6
[M+Na]+ 379.12982 184.2
[M-H]- 355.13332 184.2
[M+NH4]+ 374.17442 193.4
[M+K]+ 395.10376 183.2
[M+H-H2O]+ 339.13786 174.1
[M+HCOO]- 401.13880 195.4
[M+CH3COO]- 415.15445 218.4
[M+Na-2H]- 377.11527 179.5
[M]+ 356.14005 185.5
[M]- 356.14115 185.5
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.