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

13
Patents

331.15723 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.16451 180.7
[M+Na]+ 354.14645 185.1
[M-H]- 330.14995 190.9
[M+NH4]+ 349.19105 193.7
[M+K]+ 370.12039 181.1
[M+H-H2O]+ 314.15449 170.4
[M+HCOO]- 376.15543 204.6
[M+CH3COO]- 390.17108 214.7
[M+Na-2H]- 352.13190 184.5
[M]+ 331.15668 182.0
[M]- 331.15778 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