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 193.6
[M+Na]+ 405.22610 194.8
[M-H]- 381.22960 198.6
[M+NH4]+ 400.27070 200.9
[M+K]+ 421.20004 189.7
[M+H-H2O]+ 365.23414 181.4
[M+HCOO]- 427.23508 211.2
[M+CH3COO]- 441.25073 223.3
[M+Na-2H]- 403.21155 195.8
[M]+ 382.23633 190.1
[M]- 382.23743 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.