CID 3043231

Brn 0864099

Structural Information

Molecular Formula
C26H38N6O2
SMILES
CC1=CC=C(C=C1)NC(=O)NCCCN2CCN(CC2)CCCNC(=O)NC3=CC=C(C=C3)C
InChI
InChI=1S/C26H38N6O2/c1-21-5-9-23(10-6-21)29-25(33)27-13-3-15-31-17-19-32(20-18-31)16-4-14-28-26(34)30-24-11-7-22(2)8-12-24/h5-12H,3-4,13-20H2,1-2H3,(H2,27,29,33)(H2,28,30,34)
InChIKey
UBKMWCSMJOAZIN-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)-3-[3-[4-[3-[(4-methylphenyl)carbamoylamino]propyl]piperazin-1-yl]propyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.30563 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.31291 218.3
[M+Na]+ 489.29485 225.8
[M+NH4]+ 484.33945 222.1
[M+K]+ 505.26879 218.9
[M-H]- 465.29835 223.7
[M+Na-2H]- 487.28030 223.7
[M]+ 466.30508 220.2
[M]- 466.30618 220.2
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.