CID 3040777

Brn 0963926

Structural Information

Molecular Formula
C17H21N3O3
SMILES
CCN(CC)C(=O)[C@@H]1CC[C@H]2N1C(=O)N(C2=O)C3=CC=CC=C3
InChI
InChI=1S/C17H21N3O3/c1-3-18(4-2)15(21)13-10-11-14-16(22)19(17(23)20(13)14)12-8-6-5-7-9-12/h5-9,13-14H,3-4,10-11H2,1-2H3/t13-,14+/m0/s1
InChIKey
SNHYRAFOXWEJNQ-UONOGXRCSA-N
Compound name
(5S,7aR)-N,N-diethyl-1,3-dioxo-2-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

315.1583 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.16558 174.5
[M+Na]+ 338.14752 183.1
[M+NH4]+ 333.19212 180.5
[M+K]+ 354.12146 182.1
[M-H]- 314.15102 175.9
[M+Na-2H]- 336.13297 176.7
[M]+ 315.15775 175.6
[M]- 315.15885 175.6
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.