CID 2761122

393795-65-8

Structural Information

Molecular Formula
C14H18N2O5S
SMILES
CN(C)S(=O)(=O)C1=CC2=C(C=C1)N(CC2)C(=O)CCC(=O)O
InChI
InChI=1S/C14H18N2O5S/c1-15(2)22(20,21)11-3-4-12-10(9-11)7-8-16(12)13(17)5-6-14(18)19/h3-4,9H,5-8H2,1-2H3,(H,18,19)
InChIKey
WMNHIJYUHUMZIH-UHFFFAOYSA-N
Compound name
4-[5-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

326.09363 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.10091 172.2
[M+Na]+ 349.08285 178.9
[M+NH4]+ 344.12745 176.8
[M+K]+ 365.05679 176.8
[M-H]- 325.08635 170.2
[M+Na-2H]- 347.06830 173.0
[M]+ 326.09308 172.5
[M]- 326.09418 172.5
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

patents stripe