CID 15958925

Schembl2629236

Structural Information

Molecular Formula
C22H21N5O5
SMILES
COC1=CN=C(C2=C1C(=CN2)C(=O)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4)C(=O)N
InChI
InChI=1S/C22H21N5O5/c1-32-15-12-25-18(20(23)29)17-16(15)14(11-24-17)19(28)22(31)27-9-7-26(8-10-27)21(30)13-5-3-2-4-6-13/h2-6,11-12,24H,7-10H2,1H3,(H2,23,29)
InChIKey
LPRXOIOXURGEDB-UHFFFAOYSA-N
Compound name
3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

435.15427 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.16155 199.6
[M+Na]+ 458.14349 204.0
[M-H]- 434.14699 203.5
[M+NH4]+ 453.18809 203.8
[M+K]+ 474.11743 199.5
[M+H-H2O]+ 418.15153 188.5
[M+HCOO]- 480.15247 211.2
[M+CH3COO]- 494.16812 228.6
[M+Na-2H]- 456.12894 197.2
[M]+ 435.15372 197.4
[M]- 435.15482 197.4
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