CID 203681

15008-86-3

Structural Information

Molecular Formula
C19H23N3O2
SMILES
CC(C(=O)N1CCN(CC1)C)N2C=CC=C2C(=O)C3=CC=CC=C3
InChI
InChI=1S/C19H23N3O2/c1-15(19(24)21-13-11-20(2)12-14-21)22-10-6-9-17(22)18(23)16-7-4-3-5-8-16/h3-10,15H,11-14H2,1-2H3
InChIKey
GHQSGRDIOKFBRA-UHFFFAOYSA-N
Compound name
2-(2-benzoylpyrrol-1-yl)-1-(4-methylpiperazin-1-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.17902 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.186296 178.8
[M+Na]+ 348.168238 182.6
[M-H]- 324.171744 183.7
[M+NH4]+ 343.212843 189.5
[M+K]+ 364.142178 178.7
[M+H-H2O]+ 308.176280 168.1
[M+HCOO]- 370.177221 193.0
[M+CH3COO]- 384.192871 208.5
[M+Na-2H]- 346.153686 176.0
[M]+ 325.17847142 175.3
[M]- 325.17956858 175.3
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.