CID 5461842

N1,n2-dimesitylethane-1,2-diamine

Structural Information

Molecular Formula
C20H28N2
SMILES
CC1=CC(=C(C(=C1)C)NCCNC2=C(C=C(C=C2C)C)C)C
InChI
InChI=1S/C20H28N2/c1-13-9-15(3)19(16(4)10-13)21-7-8-22-20-17(5)11-14(2)12-18(20)6/h9-12,21-22H,7-8H2,1-6H3
InChIKey
RQXQQXIIAQTDHU-UHFFFAOYSA-N
Compound name
N,N'-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

296.22525 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.23253 174.9
[M+Na]+ 319.21447 182.8
[M-H]- 295.21797 182.3
[M+NH4]+ 314.25907 191.0
[M+K]+ 335.18841 177.7
[M+H-H2O]+ 279.22251 167.0
[M+HCOO]- 341.22345 199.2
[M+CH3COO]- 355.23910 217.0
[M+Na-2H]- 317.19992 176.1
[M]+ 296.22470 177.1
[M]- 296.22580 177.1
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

patents stripe