CID 54453

Acetophenone, 2,2-di-p-toluidino-

Structural Information

Molecular Formula
C22H22N2O
SMILES
CC1=CC=C(C=C1)NC(C(=O)C2=CC=CC=C2)NC3=CC=C(C=C3)C
InChI
InChI=1S/C22H22N2O/c1-16-8-12-19(13-9-16)23-22(21(25)18-6-4-3-5-7-18)24-20-14-10-17(2)11-15-20/h3-15,22-24H,1-2H3
InChIKey
UHDZIKNKIFXCEJ-UHFFFAOYSA-N
Compound name
2,2-bis(4-methylanilino)-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.17322 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.18050 180.3
[M+Na]+ 353.16244 184.3
[M-H]- 329.16594 189.3
[M+NH4]+ 348.20704 192.5
[M+K]+ 369.13638 179.0
[M+H-H2O]+ 313.17048 170.4
[M+HCOO]- 375.17142 203.5
[M+CH3COO]- 389.18707 217.1
[M+Na-2H]- 351.14789 183.5
[M]+ 330.17267 178.2
[M]- 330.17377 178.2
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.