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

7
Patents

289.2042 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.211476 173.4
[M+Na]+ 312.193418 177.9
[M-H]- 288.196924 177.2
[M+NH4]+ 307.238023 189.6
[M+K]+ 328.167358 174.9
[M+H-H2O]+ 272.201460 165.5
[M+HCOO]- 334.202401 197.4
[M+CH3COO]- 348.218051 208.9
[M+Na-2H]- 310.178866 175.6
[M]+ 289.20365142 178.8
[M]- 289.20474858 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