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 207.7
[M+Na]+ 428.25600 209.1
[M-H]- 404.25950 213.5
[M+NH4]+ 423.30060 218.2
[M+K]+ 444.22994 203.9
[M+H-H2O]+ 388.26404 197.4
[M+HCOO]- 450.26498 228.1
[M+CH3COO]- 464.28063 231.4
[M+Na-2H]- 426.24145 205.1
[M]+ 405.26623 211.4
[M]- 405.26733 211.4
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