CID 11291892

Unii-87ukl3xe5x

Structural Information

Molecular Formula
C22H26N4O2
SMILES
C1C[C@H]2C(=O)N(CC(=O)N2C1)CN3CCN(CC3)C4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C22H26N4O2/c27-21-15-25(22(28)20-9-4-10-26(20)21)16-23-11-13-24(14-12-23)19-8-3-6-17-5-1-2-7-18(17)19/h1-3,5-8,20H,4,9-16H2/t20-/m0/s1
InChIKey
CTZWGZSINBFHFD-FQEVSTJZSA-N
Compound name
(8aS)-2-[(4-naphthalen-1-ylpiperazin-1-yl)methyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

378.20557 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.21285 195.5
[M+Na]+ 401.19479 199.8
[M-H]- 377.19829 199.5
[M+NH4]+ 396.23939 204.3
[M+K]+ 417.16873 192.5
[M+H-H2O]+ 361.20283 182.3
[M+HCOO]- 423.20377 203.4
[M+CH3COO]- 437.21942 201.6
[M+Na-2H]- 399.18024 192.8
[M]+ 378.20502 187.8
[M]- 378.20612 187.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe