CID 3063155

4'-(2-imidazolin-2-ylamino)-3-(4-phenyl-1-piperazinyl)propiophenone hydriodide

Structural Information

Molecular Formula
C22H27N5O
SMILES
C1CN=C(N1)NC2=CC=C(C=C2)C(=O)CCN3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C22H27N5O/c28-21(18-6-8-19(9-7-18)25-22-23-11-12-24-22)10-13-26-14-16-27(17-15-26)20-4-2-1-3-5-20/h1-9H,10-17H2,(H2,23,24,25)
InChIKey
QJYLIVDTVQYDSM-UHFFFAOYSA-N
Compound name
1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-3-(4-phenylpiperazin-1-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.22156 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.22884 190.7
[M+Na]+ 400.21078 192.5
[M-H]- 376.21428 195.2
[M+NH4]+ 395.25538 196.3
[M+K]+ 416.18472 185.2
[M+H-H2O]+ 360.21882 177.4
[M+HCOO]- 422.21976 203.5
[M+CH3COO]- 436.23541 196.6
[M+Na-2H]- 398.19623 190.3
[M]+ 377.22101 182.7
[M]- 377.22211 182.7
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.