CID 15958800

1-(4-benzoylpiperazin-1-yl)-2-[7-(3,5-dimethylpyrazol-1-yl)-4-methoxy-1h-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione

Structural Information

Molecular Formula
C26H26N6O4
SMILES
CC1=CC(=NN1C2=NC=C(C3=C2NC=C3C(=O)C(=O)N4CCN(CC4)C(=O)C5=CC=CC=C5)OC)C
InChI
InChI=1S/C26H26N6O4/c1-16-13-17(2)32(29-16)24-22-21(20(36-3)15-28-24)19(14-27-22)23(33)26(35)31-11-9-30(10-12-31)25(34)18-7-5-4-6-8-18/h4-8,13-15,27H,9-12H2,1-3H3
InChIKey
LDORUTYZKHQDJZ-UHFFFAOYSA-N
Compound name
1-(4-benzoylpiperazin-1-yl)-2-[7-(3,5-dimethylpyrazol-1-yl)-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

0
Patents

486.20154 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.20882 215.6
[M+Na]+ 509.19076 221.8
[M-H]- 485.19426 221.7
[M+NH4]+ 504.23536 217.7
[M+K]+ 525.16470 215.3
[M+H-H2O]+ 469.19880 203.4
[M+HCOO]- 531.19974 225.2
[M+CH3COO]- 545.21539 221.3
[M+Na-2H]- 507.17621 209.3
[M]+ 486.20099 216.1
[M]- 486.20209 216.1
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.