CID 3023551

94108-09-5

Structural Information

Molecular Formula
C20H23NO2
SMILES
CCOC(=O)C1=CC=CC=C1N=CC2=CC=C(C=C2)C(C)(C)C
InChI
InChI=1S/C20H23NO2/c1-5-23-19(22)17-8-6-7-9-18(17)21-14-15-10-12-16(13-11-15)20(2,3)4/h6-14H,5H2,1-4H3
InChIKey
CKBPPQQVZFDIKN-UHFFFAOYSA-N
Compound name
ethyl 2-[(4-tert-butylphenyl)methylideneamino]benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

309.17288 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.18016 175.7
[M+Na]+ 332.16210 182.0
[M-H]- 308.16560 183.6
[M+NH4]+ 327.20670 191.0
[M+K]+ 348.13604 178.5
[M+H-H2O]+ 292.17014 167.4
[M+HCOO]- 354.17108 198.8
[M+CH3COO]- 368.18673 211.4
[M+Na-2H]- 330.14755 179.5
[M]+ 309.17233 178.9
[M]- 309.17343 178.9
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