CID 11288934

Necrostatin 2

Structural Information

Molecular Formula
C13H12ClN3O2
SMILES
CN1C(=O)[C@H](NC1=O)CC2=CNC3=C2C=CC=C3Cl
InChI
InChI=1S/C13H12ClN3O2/c1-17-12(18)10(16-13(17)19)5-7-6-15-11-8(7)3-2-4-9(11)14/h2-4,6,10,15H,5H2,1H3,(H,16,19)/t10-/m1/s1
InChIKey
WIKGAEMMNQTUGL-SNVBAGLBSA-N
Compound name
(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

131
Patents

277.0618 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.06908 160.4
[M+Na]+ 300.05102 173.5
[M+NH4]+ 295.09562 167.2
[M+K]+ 316.02496 170.9
[M-H]- 276.05452 161.0
[M+Na-2H]- 298.03647 164.3
[M]+ 277.06125 162.4
[M]- 277.06235 162.4
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