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 203.7
[M+Na]+ 453.22610 204.2
[M-H]- 429.22960 211.3
[M+NH4]+ 448.27070 208.2
[M+K]+ 469.20004 197.7
[M+H-H2O]+ 413.23414 189.9
[M+HCOO]- 475.23508 220.9
[M+CH3COO]- 489.25073 209.4
[M+Na-2H]- 451.21155 206.4
[M]+ 430.23633 198.7
[M]- 430.23743 198.7
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.