CID 3043233

Brn 0870332

Structural Information

Molecular Formula
C26H38N6O4
SMILES
COC1=CC=CC=C1NC(=O)NCCCN2CCN(CC2)CCCNC(=O)NC3=CC=CC=C3OC
InChI
InChI=1S/C26H38N6O4/c1-35-23-11-5-3-9-21(23)29-25(33)27-13-7-15-31-17-19-32(20-18-31)16-8-14-28-26(34)30-22-10-4-6-12-24(22)36-2/h3-6,9-12H,7-8,13-20H2,1-2H3,(H2,27,29,33)(H2,28,30,34)
InChIKey
DBHBFTKXHIHNHU-UHFFFAOYSA-N
Compound name
1-(2-methoxyphenyl)-3-[3-[4-[3-[(2-methoxyphenyl)carbamoylamino]propyl]piperazin-1-yl]propyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.29544 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.30272 218.2
[M+Na]+ 521.28466 216.3
[M-H]- 497.28816 223.0
[M+NH4]+ 516.32926 220.1
[M+K]+ 537.25860 212.7
[M+H-H2O]+ 481.29270 204.9
[M+HCOO]- 543.29364 236.1
[M+CH3COO]- 557.30929 250.4
[M+Na-2H]- 519.27011 218.8
[M]+ 498.29489 216.6
[M]- 498.29599 216.6
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.