CID 166370

72928-46-2

Structural Information

Molecular Formula
C27H35NO2
SMILES
CCCCCCC(=CC1=CC=CC=C1)C=NC2=CC=CC=C2C(=O)OCCC(C)C
InChI
InChI=1S/C27H35NO2/c1-4-5-6-8-15-24(20-23-13-9-7-10-14-23)21-28-26-17-12-11-16-25(26)27(29)30-19-18-22(2)3/h7,9-14,16-17,20-22H,4-6,8,15,18-19H2,1-3H3
InChIKey
LJVJMEOGMBKLKV-UHFFFAOYSA-N
Compound name
3-methylbutyl 2-(2-benzylideneoctylideneamino)benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

39
Patents

405.26678 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.27406 206.6
[M+Na]+ 428.25600 217.6
[M+NH4]+ 423.30060 212.5
[M+K]+ 444.22994 208.2
[M-H]- 404.25950 210.6
[M+Na-2H]- 426.24145 212.6
[M]+ 405.26623 209.1
[M]- 405.26733 209.1
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