CID 3073207

147297-08-3

Structural Information

Molecular Formula
C20H21ClN4O3
SMILES
CC1=CC2=C(C(=O)N1C)C(=O)N(C2=O)CN3CCN(CC3)C4=CC=CC=C4Cl
InChI
InChI=1S/C20H21ClN4O3/c1-13-11-14-17(19(27)22(13)2)20(28)25(18(14)26)12-23-7-9-24(10-8-23)16-6-4-3-5-15(16)21/h3-6,11H,7-10,12H2,1-2H3
InChIKey
IKUVOGKELFJIPW-UHFFFAOYSA-N
Compound name
2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-5,6-dimethylpyrrolo[3,4-c]pyridine-1,3,4-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.13022 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.13750 195.1
[M+Na]+ 423.11944 210.4
[M+NH4]+ 418.16404 200.9
[M+K]+ 439.09338 204.6
[M-H]- 399.12294 198.3
[M+Na-2H]- 421.10489 199.8
[M]+ 400.12967 198.3
[M]- 400.13077 198.3
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.