CID 9857387

186769-18-6

Structural Information

Molecular Formula
C20H28N2
SMILES
CC1=CC(=C(C(=C1)C)C(C(C2=C(C=C(C=C2C)C)C)N)N)C
InChI
InChI=1S/C20H28N2/c1-11-7-13(3)17(14(4)8-11)19(21)20(22)18-15(5)9-12(2)10-16(18)6/h7-10,19-20H,21-22H2,1-6H3
InChIKey
ILMRHFMYIXTNMC-UHFFFAOYSA-N
Compound name
1,2-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

296.22525 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.23253 176.5
[M+Na]+ 319.21447 183.9
[M-H]- 295.21797 183.0
[M+NH4]+ 314.25907 191.9
[M+K]+ 335.18841 179.2
[M+H-H2O]+ 279.22251 169.0
[M+HCOO]- 341.22345 197.5
[M+CH3COO]- 355.23910 217.7
[M+Na-2H]- 317.19992 173.0
[M]+ 296.22470 175.4
[M]- 296.22580 175.4
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