CID 3070142

Brn 4596875

Structural Information

Molecular Formula
C26H30N4O2
SMILES
C1CN(CCN1CCCOC2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H30N4O2/c31-26(27-22-8-3-1-4-9-22)28-23-12-14-25(15-13-23)32-21-7-16-29-17-19-30(20-18-29)24-10-5-2-6-11-24/h1-6,8-15H,7,16-21H2,(H2,27,28,31)
InChIKey
CFEBKPSWQJVRDF-UHFFFAOYSA-N
Compound name
1-phenyl-3-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.23688 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.24416 209.0
[M+Na]+ 453.22610 221.9
[M+NH4]+ 448.27070 215.4
[M+K]+ 469.20004 212.6
[M-H]- 429.22960 217.1
[M+Na-2H]- 451.21155 219.5
[M]+ 430.23633 213.0
[M]- 430.23743 213.0
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.