CID 3063184

Urea, (2-methoxy-5-(5-(4-(2-methoxyphenyl)-1-piperazinyl)-1-oxopentyl)phenyl)-

Structural Information

Molecular Formula
C24H32N4O4
SMILES
COC1=C(C=C(C=C1)C(=O)CCCCN2CCN(CC2)C3=CC=CC=C3OC)NC(=O)N
InChI
InChI=1S/C24H32N4O4/c1-31-22-11-10-18(17-19(22)26-24(25)30)21(29)8-5-6-12-27-13-15-28(16-14-27)20-7-3-4-9-23(20)32-2/h3-4,7,9-11,17H,5-6,8,12-16H2,1-2H3,(H3,25,26,30)
InChIKey
NRWFVSLXCBFZNU-UHFFFAOYSA-N
Compound name
[2-methoxy-5-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanoyl]phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

440.24237 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.24965 208.2
[M+Na]+ 463.23159 209.8
[M-H]- 439.23509 213.3
[M+NH4]+ 458.27619 213.0
[M+K]+ 479.20553 205.7
[M+H-H2O]+ 423.23963 196.0
[M+HCOO]- 485.24057 223.9
[M+CH3COO]- 499.25622 236.6
[M+Na-2H]- 461.21704 206.0
[M]+ 440.24182 206.9
[M]- 440.24292 206.9
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

patents stripe