CID 105896

Methyl 2-(decylideneamino)benzoate

Structural Information

Molecular Formula
C18H27NO2
SMILES
CCCCCCCCCC=NC1=CC=CC=C1C(=O)OC
InChI
InChI=1S/C18H27NO2/c1-3-4-5-6-7-8-9-12-15-19-17-14-11-10-13-16(17)18(20)21-2/h10-11,13-15H,3-9,12H2,1-2H3
InChIKey
IKRROOGGEXPVSO-UHFFFAOYSA-N
Compound name
methyl 2-(decylideneamino)benzoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

15
Patents

289.2042 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.21148 173.4
[M+Na]+ 312.19342 177.9
[M-H]- 288.19692 177.2
[M+NH4]+ 307.23802 189.6
[M+K]+ 328.16736 174.9
[M+H-H2O]+ 272.20146 165.5
[M+HCOO]- 334.20240 197.4
[M+CH3COO]- 348.21805 208.9
[M+Na-2H]- 310.17887 175.6
[M]+ 289.20365 178.8
[M]- 289.20475 178.8
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