CID 13228085

Brn 0937519

Structural Information

Molecular Formula
C17H20ClN3O3
SMILES
CCN(CC)C(=O)C1CCC2N1C(=O)N(C2=O)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C17H20ClN3O3/c1-3-19(4-2)15(22)13-8-9-14-16(23)20(17(24)21(13)14)12-7-5-6-11(18)10-12/h5-7,10,13-14H,3-4,8-9H2,1-2H3
InChIKey
RQAAYHBHIRHWGC-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)-N,N-diethyl-1,3-dioxo-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

349.11932 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.12660 183.2
[M+Na]+ 372.10854 191.2
[M-H]- 348.11204 189.8
[M+NH4]+ 367.15314 199.7
[M+K]+ 388.08248 186.9
[M+H-H2O]+ 332.11658 175.8
[M+HCOO]- 394.11752 197.9
[M+CH3COO]- 408.13317 216.8
[M+Na-2H]- 370.09399 179.2
[M]+ 349.11877 186.5
[M]- 349.11987 186.5
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.