CID 507808

1-(4-benzoylpiperazin-1-yl)-2-(4-methoxy-1h-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione

Structural Information

Molecular Formula
C21H20N4O4
SMILES
COC1=C2C(=CNC2=CN=C1)C(=O)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C21H20N4O4/c1-29-17-13-22-12-16-18(17)15(11-23-16)19(26)21(28)25-9-7-24(8-10-25)20(27)14-5-3-2-4-6-14/h2-6,11-13,23H,7-10H2,1H3
InChIKey
YPXNRRMUUJDACM-UHFFFAOYSA-N
Compound name
1-(4-benzoylpiperazin-1-yl)-2-(4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

392.14847 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.15575 191.4
[M+Na]+ 415.13769 196.8
[M-H]- 391.14119 195.3
[M+NH4]+ 410.18229 198.0
[M+K]+ 431.11163 191.4
[M+H-H2O]+ 375.14573 179.9
[M+HCOO]- 437.14667 203.5
[M+CH3COO]- 451.16232 198.7
[M+Na-2H]- 413.12314 190.7
[M]+ 392.14792 189.7
[M]- 392.14902 189.7
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

patents stripe