CID 6437163

Geranyl anthranilate

Structural Information

Molecular Formula
C17H23NO2
SMILES
CC(=CCC/C(=C/COC(=O)C1=CC=CC=C1N)/C)C
InChI
InChI=1S/C17H23NO2/c1-13(2)7-6-8-14(3)11-12-20-17(19)15-9-4-5-10-16(15)18/h4-5,7,9-11H,6,8,12,18H2,1-3H3/b14-11+
InChIKey
QLRICECRKJGSKQ-SDNWHVSQSA-N
Compound name
[(2E)-3,7-dimethylocta-2,6-dienyl] 2-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1042
Patents

273.17288 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.180156 169.3
[M+Na]+ 296.162098 173.6
[M-H]- 272.165604 171.5
[M+NH4]+ 291.206703 184.9
[M+K]+ 312.136038 170.1
[M+H-H2O]+ 256.170140 162.2
[M+HCOO]- 318.171081 189.6
[M+CH3COO]- 332.186731 202.9
[M+Na-2H]- 294.147546 167.9
[M]+ 273.17233142 169.3
[M]- 273.17342858 169.3
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