CID 458749

Chembl189997

Structural Information

Molecular Formula
C19H26N2
SMILES
CCN(CC)CCCNC1=CC=C(C=C1)C2=CC=CC=C2
InChI
InChI=1S/C19H26N2/c1-3-21(4-2)16-8-15-20-19-13-11-18(12-14-19)17-9-6-5-7-10-17/h5-7,9-14,20H,3-4,8,15-16H2,1-2H3
InChIKey
UICCVLWRLNYCPT-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-(4-phenylphenyl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.2096 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.21688 170.4
[M+Na]+ 305.19882 174.2
[M-H]- 281.20232 177.4
[M+NH4]+ 300.24342 186.0
[M+K]+ 321.17276 170.3
[M+H-H2O]+ 265.20686 161.3
[M+HCOO]- 327.20780 195.6
[M+CH3COO]- 341.22345 211.4
[M+Na-2H]- 303.18427 175.0
[M]+ 282.20905 171.4
[M]- 282.21015 171.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.