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]+ 326.18630 178.8
[M+Na]+ 348.16824 182.6
[M-H]- 324.17174 183.7
[M+NH4]+ 343.21284 189.5
[M+K]+ 364.14218 178.7
[M+H-H2O]+ 308.17628 168.1
[M+HCOO]- 370.17722 193.0
[M+CH3COO]- 384.19287 208.5
[M+Na-2H]- 346.15369 176.0
[M]+ 325.17847 175.3
[M]- 325.17957 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.