CID 25468

N,n'-bis(1-phenylnonyl)ethylenediamine dihydrobromide

Structural Information

Molecular Formula
C32H52N2
SMILES
CCCCCCCCC(C1=CC=CC=C1)NCCNC(CCCCCCCC)C2=CC=CC=C2
InChI
InChI=1S/C32H52N2/c1-3-5-7-9-11-19-25-31(29-21-15-13-16-22-29)33-27-28-34-32(30-23-17-14-18-24-30)26-20-12-10-8-6-4-2/h13-18,21-24,31-34H,3-12,19-20,25-28H2,1-2H3
InChIKey
FLECQBCOYKSBFY-UHFFFAOYSA-N
Compound name
N,N'-bis(1-phenylnonyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.41306 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.42034 227.7
[M+Na]+ 487.40228 223.8
[M-H]- 463.40578 230.0
[M+NH4]+ 482.44688 234.4
[M+K]+ 503.37622 216.6
[M+H-H2O]+ 447.41032 216.0
[M+HCOO]- 509.41126 245.7
[M+CH3COO]- 523.42691 246.7
[M+Na-2H]- 485.38773 224.3
[M]+ 464.41251 230.1
[M]- 464.41361 230.1
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

No patent data available for this compound.