CID 4962779

5-(piperazine-1-sulfonyl)-2,3-dihydro-1h-indol-2-one hydrochloride

Structural Information

Molecular Formula
C12H15N3O3S
SMILES
C1CN(CCN1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C3
InChI
InChI=1S/C12H15N3O3S/c16-12-8-9-7-10(1-2-11(9)14-12)19(17,18)15-5-3-13-4-6-15/h1-2,7,13H,3-6,8H2,(H,14,16)
InChIKey
SGGCOSCNYUWLKL-UHFFFAOYSA-N
Compound name
5-piperazin-1-ylsulfonyl-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

1
Patents

281.0834 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.09068 163.4
[M+Na]+ 304.07262 170.4
[M-H]- 280.07612 163.9
[M+NH4]+ 299.11722 176.8
[M+K]+ 320.04656 165.0
[M+H-H2O]+ 264.08066 156.5
[M+HCOO]- 326.08160 171.1
[M+CH3COO]- 340.09725 172.4
[M+Na-2H]- 302.05807 164.8
[M]+ 281.08285 158.7
[M]- 281.08395 158.7
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.