CID 626583

N,n'-diacetyl-3,3'-dimethylbenzidine

Structural Information

Molecular Formula
C18H20N2O2
SMILES
CC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)C)C)NC(=O)C
InChI
InChI=1S/C18H20N2O2/c1-11-9-15(5-7-17(11)19-13(3)21)16-6-8-18(12(2)10-16)20-14(4)22/h5-10H,1-4H3,(H,19,21)(H,20,22)
InChIKey
YYWOGMJTPSCQAN-UHFFFAOYSA-N
Compound name
N-[4-(4-acetamido-3-methylphenyl)-2-methylphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

36
Patents

296.15247 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.159746 170.9
[M+Na]+ 319.141688 177.8
[M-H]- 295.145194 178.2
[M+NH4]+ 314.186293 186.0
[M+K]+ 335.115628 174.2
[M+H-H2O]+ 279.149730 162.9
[M+HCOO]- 341.150671 194.8
[M+CH3COO]- 355.166321 211.7
[M+Na-2H]- 317.127136 172.3
[M]+ 296.15192142 171.7
[M]- 296.15301858 171.7
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