CID 13935770

86480-26-4

Structural Information

Molecular Formula
C24H36N2O2
SMILES
COC1=C(C=C(C=C1)CCNCCCCCCNCCC2=CC=CC=C2)OC
InChI
InChI=1S/C24H36N2O2/c1-27-23-13-12-22(20-24(23)28-2)15-19-26-17-9-4-3-8-16-25-18-14-21-10-6-5-7-11-21/h5-7,10-13,20,25-26H,3-4,8-9,14-19H2,1-2H3
InChIKey
PRLFIKKGRPLYBY-UHFFFAOYSA-N
Compound name
N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-phenylethyl)hexane-1,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

384.27768 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.28496 198.0
[M+Na]+ 407.26690 200.0
[M-H]- 383.27040 202.7
[M+NH4]+ 402.31150 208.8
[M+K]+ 423.24084 194.9
[M+H-H2O]+ 367.27494 187.6
[M+HCOO]- 429.27588 221.3
[M+CH3COO]- 443.29153 228.1
[M+Na-2H]- 405.25235 200.0
[M]+ 384.27713 202.6
[M]- 384.27823 202.6
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