CID 14299396

122886-55-9

Structural Information

Molecular Formula
C31H48N4O2
SMILES
CCCCCCCCNC(=O)NC1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)NCCCCCCCC
InChI
InChI=1S/C31H48N4O2/c1-3-5-7-9-11-13-23-32-30(36)34-28-19-15-26(16-20-28)25-27-17-21-29(22-18-27)35-31(37)33-24-14-12-10-8-6-4-2/h15-22H,3-14,23-25H2,1-2H3,(H2,32,34,36)(H2,33,35,37)
InChIKey
CWSYHECTOJPFDT-UHFFFAOYSA-N
Compound name
1-octyl-3-[4-[[4-(octylcarbamoylamino)phenyl]methyl]phenyl]urea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

12
Patents

508.37772 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.38500 233.1
[M+Na]+ 531.36694 230.4
[M-H]- 507.37044 236.6
[M+NH4]+ 526.41154 238.0
[M+K]+ 547.34088 224.4
[M+H-H2O]+ 491.37498 221.1
[M+HCOO]- 553.37592 254.4
[M+CH3COO]- 567.39157 256.7
[M+Na-2H]- 529.35239 230.4
[M]+ 508.37717 235.7
[M]- 508.37827 235.7
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