CID 3067701

Glycine, n-((4-(((2-methylpropoxy)carbonyl)amino)phenyl)sulfonyl)-, ethyl ester

Structural Information

Molecular Formula
C15H22N2O6S
SMILES
CCOC(=O)CNS(=O)(=O)C1=CC=C(C=C1)NC(=O)OCC(C)C
InChI
InChI=1S/C15H22N2O6S/c1-4-22-14(18)9-16-24(20,21)13-7-5-12(6-8-13)17-15(19)23-10-11(2)3/h5-8,11,16H,4,9-10H2,1-3H3,(H,17,19)
InChIKey
LFQALWXLMTWEJY-UHFFFAOYSA-N
Compound name
ethyl 2-[[4-(2-methylpropoxycarbonylamino)phenyl]sulfonylamino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.11984 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.12712 181.2
[M+Na]+ 381.10906 186.7
[M+NH4]+ 376.15366 184.3
[M+K]+ 397.08300 182.9
[M-H]- 357.11256 179.4
[M+Na-2H]- 379.09451 182.8
[M]+ 358.11929 181.3
[M]- 358.12039 181.3
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.