CID 3073574

150064-11-2

Structural Information

Molecular Formula
C18H20N6O3
SMILES
CC1=CC2=C(C(=O)N1C)C(=O)N(C2=O)CN3CCN(CC3)C4=NC=CC=N4
InChI
InChI=1S/C18H20N6O3/c1-12-10-13-14(16(26)21(12)2)17(27)24(15(13)25)11-22-6-8-23(9-7-22)18-19-4-3-5-20-18/h3-5,10H,6-9,11H2,1-2H3
InChIKey
DJDFXLQQHYWYQG-UHFFFAOYSA-N
Compound name
5,6-dimethyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolo[3,4-c]pyridine-1,3,4-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.1597 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.16698 193.6
[M+Na]+ 391.14892 203.5
[M-H]- 367.15242 196.8
[M+NH4]+ 386.19352 200.2
[M+K]+ 407.12286 196.5
[M+H-H2O]+ 351.15696 181.1
[M+HCOO]- 413.15790 205.0
[M+CH3COO]- 427.17355 201.5
[M+Na-2H]- 389.13437 191.8
[M]+ 368.15915 192.8
[M]- 368.16025 192.8
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.