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]+ 383.244156 193.6
[M+Na]+ 405.226098 194.8
[M-H]- 381.229604 198.6
[M+NH4]+ 400.270703 200.9
[M+K]+ 421.200038 189.7
[M+H-H2O]+ 365.234140 181.4
[M+HCOO]- 427.235081 211.2
[M+CH3COO]- 441.250731 223.3
[M+Na-2H]- 403.211546 195.8
[M]+ 382.23633142 190.1
[M]- 382.23742858 190.1
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.