CID 54707911

Schembl14129639

Structural Information

Molecular Formula
C19H18Cl2N2O3
SMILES
C1CCC2(C1)CN(C(=O)C3=C(C(=O)C=CN23)O)CC4=CC(=C(C=C4)Cl)Cl
InChI
InChI=1S/C19H18Cl2N2O3/c20-13-4-3-12(9-14(13)21)10-22-11-19(6-1-2-7-19)23-8-5-15(24)17(25)16(23)18(22)26/h3-5,8-9,25H,1-2,6-7,10-11H2
InChIKey
YWWKSKPRWKTOEL-UHFFFAOYSA-N
Compound name
2-[(3,4-dichlorophenyl)methyl]-9-hydroxyspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopentane]-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

392.06946 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.07674 188.9
[M+Na]+ 415.05868 199.8
[M-H]- 391.06218 194.2
[M+NH4]+ 410.10328 203.6
[M+K]+ 431.03262 191.6
[M+H-H2O]+ 375.06672 180.6
[M+HCOO]- 437.06766 194.6
[M+CH3COO]- 451.08331 198.3
[M+Na-2H]- 413.04413 188.4
[M]+ 392.06891 189.8
[M]- 392.07001 189.8
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.