CID 24846026

N,n'-(2-phenylcyclopropyl)sebacamide

Structural Information

Molecular Formula
C28H36N2O2
SMILES
C1C(C1NC(=O)CCCCCCCCC(=O)NC2CC2C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C28H36N2O2/c31-27(29-25-19-23(25)21-13-7-5-8-14-21)17-11-3-1-2-4-12-18-28(32)30-26-20-24(26)22-15-9-6-10-16-22/h5-10,13-16,23-26H,1-4,11-12,17-20H2,(H,29,31)(H,30,32)
InChIKey
JBJJXHCUIDFNMH-UHFFFAOYSA-N
Compound name
N,N'-bis(2-phenylcyclopropyl)decanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.27768 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.28496 194.4
[M+Na]+ 455.26690 196.2
[M-H]- 431.27040 204.2
[M+NH4]+ 450.31150 193.5
[M+K]+ 471.24084 191.4
[M+H-H2O]+ 415.27494 186.6
[M+HCOO]- 477.27588 213.7
[M+CH3COO]- 491.29153 239.0
[M+Na-2H]- 453.25235 193.1
[M]+ 432.27713 198.7
[M]- 432.27823 198.7
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

No patent data available for this compound.