CID 91259

Methyl p-(n,n-diphenylamino)cinnamate

Structural Information

Molecular Formula
C22H19NO2
SMILES
COC(=O)C=CC1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H19NO2/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/h2-17H,1H3
InChIKey
BXVLFTQOFFZWCZ-UHFFFAOYSA-N
Compound name
methyl 3-[4-(N-phenylanilino)phenyl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

329.14157 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.148846 179.9
[M+Na]+ 352.130788 184.7
[M-H]- 328.134294 190.2
[M+NH4]+ 347.175393 193.0
[M+K]+ 368.104728 180.1
[M+H-H2O]+ 312.138830 169.7
[M+HCOO]- 374.139771 204.0
[M+CH3COO]- 388.155421 213.3
[M+Na-2H]- 350.116236 183.7
[M]+ 329.14102142 180.4
[M]- 329.14211858 180.4
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