CID 6443207

Flutimide

Structural Information

Molecular Formula
C12H18N2O3
SMILES
CC(C)CC1=N/C(=C\C(C)C)/C(=O)N(C1=O)O
InChI
InChI=1S/C12H18N2O3/c1-7(2)5-9-11(15)14(17)12(16)10(13-9)6-8(3)4/h5,7-8,17H,6H2,1-4H3/b9-5-
InChIKey
SIXHCCPAJIVTOY-UITAMQMPSA-N
Compound name
(5Z)-1-hydroxy-3-(2-methylpropyl)-5-(2-methylpropylidene)pyrazine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

615
Patents

238.13174 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.13902 153.9
[M+Na]+ 261.12096 161.7
[M-H]- 237.12446 153.6
[M+NH4]+ 256.16556 168.9
[M+K]+ 277.09490 159.2
[M+H-H2O]+ 221.12900 147.3
[M+HCOO]- 283.12994 169.7
[M+CH3COO]- 297.14559 193.4
[M+Na-2H]- 259.10641 153.1
[M]+ 238.13119 153.8
[M]- 238.13229 153.8
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

patents stripe