CID 58353

F 227

Structural Information

Molecular Formula
C26H40N2O2
SMILES
CCC(CCC1=CC=C(C=C1)OC)NCCNC(CC)CCC2=CC=C(C=C2)OC
InChI
InChI=1S/C26H40N2O2/c1-5-23(13-7-21-9-15-25(29-3)16-10-21)27-19-20-28-24(6-2)14-8-22-11-17-26(30-4)18-12-22/h9-12,15-18,23-24,27-28H,5-8,13-14,19-20H2,1-4H3
InChIKey
POHMXNOHPVVFKD-UHFFFAOYSA-N
Compound name
N,N'-bis[1-(4-methoxyphenyl)pentan-3-yl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.309 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.31628 208.9
[M+Na]+ 435.29822 209.4
[M-H]- 411.30172 213.4
[M+NH4]+ 430.34282 218.4
[M+K]+ 451.27216 205.0
[M+H-H2O]+ 395.30626 198.4
[M+HCOO]- 457.30720 229.5
[M+CH3COO]- 471.32285 235.6
[M+Na-2H]- 433.28367 207.4
[M]+ 412.30845 213.0
[M]- 412.30955 213.0
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.