CID 13228088

Brn 0945029

Structural Information

Molecular Formula
C18H20F3N3O3
SMILES
CCN(CC)C(=O)C1CCC2N1C(=O)N(C2=O)C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C18H20F3N3O3/c1-3-22(4-2)15(25)13-8-9-14-16(26)23(17(27)24(13)14)12-7-5-6-11(10-12)18(19,20)21/h5-7,10,13-14H,3-4,8-9H2,1-2H3
InChIKey
FBSQTKLDYXTHFZ-UHFFFAOYSA-N
Compound name
N,N-diethyl-1,3-dioxo-2-[3-(trifluoromethyl)phenyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.1457 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.15298 187.7
[M+Na]+ 406.13492 195.0
[M-H]- 382.13842 190.5
[M+NH4]+ 401.17952 201.8
[M+K]+ 422.10886 191.5
[M+H-H2O]+ 366.14296 178.0
[M+HCOO]- 428.14390 201.9
[M+CH3COO]- 442.15955 223.8
[M+Na-2H]- 404.12037 183.4
[M]+ 383.14515 185.5
[M]- 383.14625 185.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.