CID 5110567

Methyl 4-(diphenylamino)benzoate

Structural Information

Molecular Formula
C20H17NO2
SMILES
COC(=O)C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H17NO2/c1-23-20(22)16-12-14-19(15-13-16)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3
InChIKey
LMPDKTVEQHXQKW-UHFFFAOYSA-N
Compound name
methyl 4-(N-phenylanilino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

303.12592 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.13320 171.5
[M+Na]+ 326.11514 176.7
[M-H]- 302.11864 182.0
[M+NH4]+ 321.15974 185.6
[M+K]+ 342.08908 173.3
[M+H-H2O]+ 286.12318 161.6
[M+HCOO]- 348.12412 196.1
[M+CH3COO]- 362.13977 208.8
[M+Na-2H]- 324.10059 176.4
[M]+ 303.12537 172.1
[M]- 303.12647 172.1
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