CID 5280183

Schembl1763292

Structural Information

Molecular Formula
C24H21N5O5
SMILES
COC1=CN=C(C2=C1C(=CN2)C(=O)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4)C5=NC=CO5
InChI
InChI=1S/C24H21N5O5/c1-33-17-14-27-20(22-25-7-12-34-22)19-18(17)16(13-26-19)21(30)24(32)29-10-8-28(9-11-29)23(31)15-5-3-2-4-6-15/h2-7,12-14,26H,8-11H2,1H3
InChIKey
DEWMFCCMGDBQTF-UHFFFAOYSA-N
Compound name
1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

46
Patents

459.15427 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.16155 204.2
[M+Na]+ 482.14349 209.7
[M-H]- 458.14699 211.7
[M+NH4]+ 477.18809 206.9
[M+K]+ 498.11743 205.6
[M+H-H2O]+ 442.15153 192.6
[M+HCOO]- 504.15247 215.2
[M+CH3COO]- 518.16812 210.9
[M+Na-2H]- 480.12894 200.6
[M]+ 459.15372 204.7
[M]- 459.15482 204.7
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

No patent data available for this compound.