CID 3070143

Brn 4581323

Structural Information

Molecular Formula
C22H30N4O2
SMILES
CCNC(=O)NC1=CC=C(C=C1)OCCCN2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C22H30N4O2/c1-2-23-22(27)24-19-9-11-21(12-10-19)28-18-6-13-25-14-16-26(17-15-25)20-7-4-3-5-8-20/h3-5,7-12H,2,6,13-18H2,1H3,(H2,23,24,27)
InChIKey
GZZUEBSQSDVIFT-UHFFFAOYSA-N
Compound name
1-ethyl-3-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.23688 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.24416 196.3
[M+Na]+ 405.22610 207.2
[M+NH4]+ 400.27070 202.3
[M+K]+ 421.20004 199.3
[M-H]- 381.22960 201.8
[M+Na-2H]- 403.21155 204.0
[M]+ 382.23633 199.1
[M]- 382.23743 199.1
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.