CID 3063159

1-propanone, 1-(4-((4,5-dihydro-1h-imidazol-2-yl)amino)phenyl)-3-(4-(4-methylphenyl)-1-piperazinyl)-, monohydriodide

Structural Information

Molecular Formula
C23H29N5O
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)CCC(=O)C3=CC=C(C=C3)NC4=NCCN4
InChI
InChI=1S/C23H29N5O/c1-18-2-8-21(9-3-18)28-16-14-27(15-17-28)13-10-22(29)19-4-6-20(7-5-19)26-23-24-11-12-25-23/h2-9H,10-17H2,1H3,(H2,24,25,26)
InChIKey
IQBMAFCPUUFUPV-UHFFFAOYSA-N
Compound name
1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-3-[4-(4-methylphenyl)piperazin-1-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.2372 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.24448 196.3
[M+Na]+ 414.22642 198.5
[M-H]- 390.22992 201.0
[M+NH4]+ 409.27102 201.6
[M+K]+ 430.20036 191.0
[M+H-H2O]+ 374.23446 183.1
[M+HCOO]- 436.23540 208.7
[M+CH3COO]- 450.25105 202.0
[M+Na-2H]- 412.21187 194.6
[M]+ 391.23665 189.0
[M]- 391.23775 189.0
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.