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

4
Patents

440.24237 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.249646 208.2
[M+Na]+ 463.231588 209.8
[M-H]- 439.235094 213.3
[M+NH4]+ 458.276193 213.0
[M+K]+ 479.205528 205.7
[M+H-H2O]+ 423.239630 196.0
[M+HCOO]- 485.240571 223.9
[M+CH3COO]- 499.256221 236.6
[M+Na-2H]- 461.217036 206.0
[M]+ 440.24182142 206.9
[M]- 440.24291858 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