CID 507911

2-(2-{3-[(4-benzoylpiperazin-1-yl)(oxo)acetyl]-4-fluoro-1h-indol-7-yl}-2h-tetraazol-5-yl)acetamide-

Structural Information

Molecular Formula
C24H21FN8O4
SMILES
C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CNC4=C(C=CC(=C34)F)N5N=C(N=N5)CC(=O)N
InChI
InChI=1S/C24H21FN8O4/c25-16-6-7-17(33-29-19(28-30-33)12-18(26)34)21-20(16)15(13-27-21)22(35)24(37)32-10-8-31(9-11-32)23(36)14-4-2-1-3-5-14/h1-7,13,27H,8-12H2,(H2,26,34)
InChIKey
RUTZGADECGQJSA-UHFFFAOYSA-N
Compound name
2-[2-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-indol-7-yl]tetrazol-5-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

504.167 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.17428 211.5
[M+Na]+ 527.15622 216.7
[M-H]- 503.15972 215.2
[M+NH4]+ 522.20082 210.7
[M+K]+ 543.13016 210.0
[M+H-H2O]+ 487.16426 198.6
[M+HCOO]- 549.16520 219.4
[M+CH3COO]- 563.18085 215.9
[M+Na-2H]- 525.14167 206.4
[M]+ 504.16645 208.3
[M]- 504.16755 208.3
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.