CID 3040684

52840-65-0

Structural Information

Molecular Formula
C17H23N3O2
SMILES
CCN(CC)C(=O)[C@H]1CC[C@H]2N1C(=O)N(C2)C3=CC=CC=C3
InChI
InChI=1S/C17H23N3O2/c1-3-18(4-2)16(21)15-11-10-14-12-19(17(22)20(14)15)13-8-6-5-7-9-13/h5-9,14-15H,3-4,10-12H2,1-2H3/t14-,15-/m1/s1
InChIKey
PRXHNUONAYDIQT-HUUCEWRRSA-N
Compound name
(5R,7aR)-N,N-diethyl-3-oxo-2-phenyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.17902 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.18630 172.4
[M+Na]+ 324.16824 181.2
[M+NH4]+ 319.21284 179.3
[M+K]+ 340.14218 179.4
[M-H]- 300.17174 174.5
[M+Na-2H]- 322.15369 175.4
[M]+ 301.17847 173.8
[M]- 301.17957 173.8
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.