CID 15958774

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

Structural Information

Molecular Formula
C25H21F3N6O4
SMILES
COC1=CN=C(C2=C1C(=CN2)C(=O)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4)N5C=C(C=N5)C(F)(F)F
InChI
InChI=1S/C25H21F3N6O4/c1-38-18-13-30-22(34-14-16(11-31-34)25(26,27)28)20-19(18)17(12-29-20)21(35)24(37)33-9-7-32(8-10-33)23(36)15-5-3-2-4-6-15/h2-6,11-14,29H,7-10H2,1H3
InChIKey
ZTXQPXRMKDTTEB-UHFFFAOYSA-N
Compound name
1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-[4-(trifluoromethyl)pyrazol-1-yl]-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

526.15765 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.16493 218.4
[M+Na]+ 549.14687 224.7
[M-H]- 525.15037 221.0
[M+NH4]+ 544.19147 218.8
[M+K]+ 565.12081 217.8
[M+H-H2O]+ 509.15491 204.3
[M+HCOO]- 571.15585 223.8
[M+CH3COO]- 585.17150 222.8
[M+Na-2H]- 547.13232 213.3
[M]+ 526.15710 215.0
[M]- 526.15820 215.0
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.