CID 22957938

Schembl17189474

Structural Information

Molecular Formula
C39H62N4O2
SMILES
CCCCCCCCCCCCCCCCCCNC(=O)NC1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)NC3CCCCC3
InChI
InChI=1S/C39H62N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-31-40-38(44)41-36-27-23-33(24-28-36)32-34-25-29-37(30-26-34)43-39(45)42-35-21-18-17-19-22-35/h23-30,35H,2-22,31-32H2,1H3,(H2,40,41,44)(H2,42,43,45)
InChIKey
ARNKPOYGLQOJDM-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-[4-[[4-(octadecylcarbamoylamino)phenyl]methyl]phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

618.4873 Da
Monoisotopic Mass

12.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 619.49458 268.3
[M+Na]+ 641.47652 273.0
[M+NH4]+ 636.52112 271.3
[M+K]+ 657.45046 262.1
[M-H]- 617.48002 274.5
[M+Na-2H]- 639.46197 271.2
[M]+ 618.48675 270.1
[M]- 618.48785 270.1
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

patents stripe