CID 117082

Methyl 3-(4-(n,n-diphenylamino)phenyl)propionate

Structural Information

Molecular Formula
C22H21NO2
SMILES
COC(=O)CCC1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H21NO2/c1-25-22(24)17-14-18-12-15-21(16-13-18)23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,15-16H,14,17H2,1H3
InChIKey
WHZLMSDQPQRIHQ-UHFFFAOYSA-N
Compound name
methyl 3-[4-(N-phenylanilino)phenyl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

331.15723 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.164506 180.7
[M+Na]+ 354.146448 185.1
[M-H]- 330.149954 190.9
[M+NH4]+ 349.191053 193.7
[M+K]+ 370.120388 181.1
[M+H-H2O]+ 314.154490 170.4
[M+HCOO]- 376.155431 204.6
[M+CH3COO]- 390.171081 214.7
[M+Na-2H]- 352.131896 184.5
[M]+ 331.15668142 182.0
[M]- 331.15777858 182.0
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