CID 20060

4106-16-5

Structural Information

Molecular Formula
C20H28N2
SMILES
CC(CC1=CC=CC=C1)NCCNC(C)CC2=CC=CC=C2
InChI
InChI=1S/C20H28N2/c1-17(15-19-9-5-3-6-10-19)21-13-14-22-18(2)16-20-11-7-4-8-12-20/h3-12,17-18,21-22H,13-16H2,1-2H3
InChIKey
ITDDGZIPHVSQPV-UHFFFAOYSA-N
Compound name
N,N'-bis(1-phenylpropan-2-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.22525 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.23253 175.2
[M+Na]+ 319.21447 176.8
[M-H]- 295.21797 180.3
[M+NH4]+ 314.25907 189.1
[M+K]+ 335.18841 172.4
[M+H-H2O]+ 279.22251 166.2
[M+HCOO]- 341.22345 197.6
[M+CH3COO]- 355.23910 211.5
[M+Na-2H]- 317.19992 178.4
[M]+ 296.22470 173.7
[M]- 296.22580 173.7
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.