CID 19608

Ethyl p-(p'-phenylbenzalamino)benzoate

Structural Information

Molecular Formula
C22H19NO2
SMILES
CCOC(=O)C1=CC=C(C=C1)N=CC2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H19NO2/c1-2-25-22(24)20-12-14-21(15-13-20)23-16-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-16H,2H2,1H3
InChIKey
XCBIEOXLPPQJNF-UHFFFAOYSA-N
Compound name
ethyl 4-[(4-phenylphenyl)methylideneamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

329.14157 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.14885 179.8
[M+Na]+ 352.13079 185.8
[M-H]- 328.13429 190.4
[M+NH4]+ 347.17539 193.3
[M+K]+ 368.10473 180.8
[M+H-H2O]+ 312.13883 169.6
[M+HCOO]- 374.13977 204.9
[M+CH3COO]- 388.15542 213.6
[M+Na-2H]- 350.11624 184.0
[M]+ 329.14102 181.3
[M]- 329.14212 181.3
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