CID 3043232

Brn 0866989

Structural Information

Molecular Formula
C24H32Cl2N6O2
SMILES
C1CN(CCN1CCCNC(=O)NC2=CC(=CC=C2)Cl)CCCNC(=O)NC3=CC(=CC=C3)Cl
InChI
InChI=1S/C24H32Cl2N6O2/c25-19-5-1-7-21(17-19)29-23(33)27-9-3-11-31-13-15-32(16-14-31)12-4-10-28-24(34)30-22-8-2-6-20(26)18-22/h1-2,5-8,17-18H,3-4,9-16H2,(H2,27,29,33)(H2,28,30,34)
InChIKey
FPIYTWDGZYLDDY-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-3-[3-[4-[3-[(3-chlorophenyl)carbamoylamino]propyl]piperazin-1-yl]propyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.19638 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.20366 220.7
[M+Na]+ 529.18560 230.1
[M+NH4]+ 524.23020 225.3
[M+K]+ 545.15954 221.9
[M-H]- 505.18910 225.9
[M+Na-2H]- 527.17105 226.5
[M]+ 506.19583 223.6
[M]- 506.19693 223.6
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.