CID 458847

1-5,5'-diamino-2,2'.4,4',6,6'-hexamethyl-3,3'-biacetophenone

Structural Information

Molecular Formula
C22H28N2O2
SMILES
CC1=C(C(=C(C(=C1C(=O)C)C)N)C)C2=C(C(=C(C(=C2C)N)C)C(=O)C)C
InChI
InChI=1S/C22H28N2O2/c1-9-17(15(7)25)11(3)21(23)13(5)19(9)20-10(2)18(16(8)26)12(4)22(24)14(20)6/h23-24H2,1-8H3
InChIKey
JOFCUXBSBIYTIO-UHFFFAOYSA-N
Compound name
1-[3-(3-acetyl-5-amino-2,4,6-trimethylphenyl)-5-amino-2,4,6-trimethylphenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.2151 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.22238 187.5
[M+Na]+ 375.20432 197.8
[M-H]- 351.20782 195.2
[M+NH4]+ 370.24892 201.4
[M+K]+ 391.17826 193.5
[M+H-H2O]+ 335.21236 180.4
[M+HCOO]- 397.21330 208.4
[M+CH3COO]- 411.22895 232.1
[M+Na-2H]- 373.18977 180.5
[M]+ 352.21455 190.3
[M]- 352.21565 190.3
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.