CID 202754

13220-22-9

Structural Information

Molecular Formula
C24H25N3O2
SMILES
CN1CCN(CC1)C(=O)C(C2=CC=CC=C2)N3C=CC=C3C(=O)C4=CC=CC=C4
InChI
InChI=1S/C24H25N3O2/c1-25-15-17-26(18-16-25)24(29)22(19-9-4-2-5-10-19)27-14-8-13-21(27)23(28)20-11-6-3-7-12-20/h2-14,22H,15-18H2,1H3
InChIKey
OPVUYEICFXTVFD-UHFFFAOYSA-N
Compound name
2-(2-benzoylpyrrol-1-yl)-1-(4-methylpiperazin-1-yl)-2-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.19467 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.20195 194.3
[M+Na]+ 410.18389 196.9
[M-H]- 386.18739 201.8
[M+NH4]+ 405.22849 201.5
[M+K]+ 426.15783 191.2
[M+H-H2O]+ 370.19193 181.8
[M+HCOO]- 432.19287 207.8
[M+CH3COO]- 446.20852 201.4
[M+Na-2H]- 408.16934 191.1
[M]+ 387.19412 189.6
[M]- 387.19522 189.6
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.