CID 11047013

Ethyl 2-[(2-amino-5-chloro-phenyl)sulfonyl-(3-methylbut-2-enyl)amino]propanoate

Structural Information

Molecular Formula
C16H23ClN2O4S
SMILES
CCOC(=O)C(C)N(CC=C(C)C)S(=O)(=O)C1=C(C=CC(=C1)Cl)N
InChI
InChI=1S/C16H23ClN2O4S/c1-5-23-16(20)12(4)19(9-8-11(2)3)24(21,22)15-10-13(17)6-7-14(15)18/h6-8,10,12H,5,9,18H2,1-4H3
InChIKey
ALSSPOSHGMHXQB-UHFFFAOYSA-N
Compound name
ethyl 2-[(2-amino-5-chlorophenyl)sulfonyl-(3-methylbut-2-enyl)amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

374.10672 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.11400 184.4
[M+Na]+ 397.09594 189.7
[M-H]- 373.09944 188.7
[M+NH4]+ 392.14054 197.7
[M+K]+ 413.06988 186.2
[M+H-H2O]+ 357.10398 178.4
[M+HCOO]- 419.10492 195.7
[M+CH3COO]- 433.12057 221.3
[M+Na-2H]- 395.08139 181.7
[M]+ 374.10617 191.0
[M]- 374.10727 191.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.