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

literature stripe

Patent stripe

patents stripe