CID 1151802

Acetolactate decarboxylase

Structural Information

Molecular Formula
C21H25N3O3S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3CC4=CC=CC=C4C3
InChI
InChI=1S/C21H25N3O3S/c1-16(25)22-19-6-8-21(9-7-19)28(26,27)24-12-10-23(11-13-24)20-14-17-4-2-3-5-18(17)15-20/h2-9,20H,10-15H2,1H3,(H,22,25)
InChIKey
KYLPQCURLYFTQK-UHFFFAOYSA-N
Compound name
N-[4-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]sulfonylphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

87
References

0
Patents

399.16165 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.16893 193.9
[M+Na]+ 422.15087 198.6
[M-H]- 398.15437 200.9
[M+NH4]+ 417.19547 204.5
[M+K]+ 438.12481 193.2
[M+H-H2O]+ 382.15891 185.0
[M+HCOO]- 444.15985 204.2
[M+CH3COO]- 458.17550 201.8
[M+Na-2H]- 420.13632 193.8
[M]+ 399.16110 191.8
[M]- 399.16220 191.8
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.