CID 132344064

2137090-35-6

Structural Information

Molecular Formula
C14H14N2O3
SMILES
C1[C@@H]2C(=O)N(CC(=O)N2CC1=O)CC3=CC=CC=C3
InChI
InChI=1S/C14H14N2O3/c17-11-6-12-14(19)15(9-13(18)16(12)8-11)7-10-4-2-1-3-5-10/h1-5,12H,6-9H2/t12-/m1/s1
InChIKey
VKSDUEUIONRUIC-GFCCVEGCSA-N
Compound name
(8aR)-2-benzyl-3,6,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,4,7-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.10043 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.10771 157.5
[M+Na]+ 281.08965 165.6
[M-H]- 257.09315 162.2
[M+NH4]+ 276.13425 174.3
[M+K]+ 297.06359 161.5
[M+H-H2O]+ 241.09769 149.3
[M+HCOO]- 303.09863 175.1
[M+CH3COO]- 317.11428 194.8
[M+Na-2H]- 279.07510 159.0
[M]+ 258.09988 155.1
[M]- 258.10098 155.1
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.