CID 177843230

Dtxsid301369587

Structural Information

Molecular Formula
C35H56N4O2
SMILES
CCCCCCCCCCCCNC(=O)NC1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)NCCCCCCCC
InChI
InChI=1S/C35H56N4O2/c1-3-5-7-9-11-12-13-14-16-18-28-37-35(41)39-33-25-21-31(22-26-33)29-30-19-23-32(24-20-30)38-34(40)36-27-17-15-10-8-6-4-2/h19-26H,3-18,27-29H2,1-2H3,(H2,36,38,40)(H2,37,39,41)
InChIKey
NPBXZGNAUXVTCU-UHFFFAOYSA-N
Compound name
1-dodecyl-3-[4-[[4-(octylcarbamoylamino)phenyl]methyl]phenyl]urea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

564.4403 Da
Monoisotopic Mass

10.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 565.44758 249.2
[M+Na]+ 587.42952 244.7
[M-H]- 563.43302 251.9
[M+NH4]+ 582.47412 251.7
[M+K]+ 603.40346 238.0
[M+H-H2O]+ 547.43756 236.5
[M+HCOO]- 609.43850 269.1
[M+CH3COO]- 623.45415 268.1
[M+Na-2H]- 585.41497 244.6
[M]+ 564.43975 253.2
[M]- 564.44085 253.2
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.