CID 85283

Octadecanamide, n,n'-1,4-phenylenebis-

Structural Information

Molecular Formula
C42H76N2O2
SMILES
CCCCCCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)NC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C42H76N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)43-39-35-37-40(38-36-39)44-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-38H,3-34H2,1-2H3,(H,43,45)(H,44,46)
InChIKey
CQISYTXUORWJSX-UHFFFAOYSA-N
Compound name
N-[4-(octadecanoylamino)phenyl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

152
Patents

640.5907 Da
Monoisotopic Mass

17.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 641.59798 272.7
[M+Na]+ 663.57992 282.6
[M-H]- 639.58342 259.4
[M+NH4]+ 658.62452 271.5
[M+K]+ 679.55386 280.5
[M+H-H2O]+ 623.58796 266.8
[M+HCOO]- 685.58890 277.8
[M+CH3COO]- 699.60455 281.6
[M+Na-2H]- 661.56537 255.6
[M]+ 640.59015 268.1
[M]- 640.59125 268.1
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