CID 132981

154992-24-2

Structural Information

Molecular Formula
C17H18F3N3O3
SMILES
CC1(C(=O)N(C(=O)N1CCCCO)C2=CC(=C(C=C2)C#N)C(F)(F)F)C
InChI
InChI=1S/C17H18F3N3O3/c1-16(2)14(25)23(15(26)22(16)7-3-4-8-24)12-6-5-11(10-21)13(9-12)17(18,19)20/h5-6,9,24H,3-4,7-8H2,1-2H3
InChIKey
ARBYGDBJECGMGA-UHFFFAOYSA-N
Compound name
4-[3-(4-hydroxybutyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

26
References

192
Patents

369.13004 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.13732 175.8
[M+Na]+ 392.11926 186.8
[M-H]- 368.12276 174.5
[M+NH4]+ 387.16386 187.5
[M+K]+ 408.09320 181.1
[M+H-H2O]+ 352.12730 160.2
[M+HCOO]- 414.12824 186.4
[M+CH3COO]- 428.14389 223.4
[M+Na-2H]- 390.10471 174.5
[M]+ 369.12949 169.3
[M]- 369.13059 169.3
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