CID 3060785

78280-35-0

Structural Information

Molecular Formula
C19H30N2O3
SMILES
CCCCNC1=CC(=C(C=C1)C(=O)OC2CCCCC2N(C)C)O
InChI
InChI=1S/C19H30N2O3/c1-4-5-12-20-14-10-11-15(17(22)13-14)19(23)24-18-9-7-6-8-16(18)21(2)3/h10-11,13,16,18,20,22H,4-9,12H2,1-3H3
InChIKey
FQGCLYVAXFJXAD-UHFFFAOYSA-N
Compound name
[2-(dimethylamino)cyclohexyl] 4-(butylamino)-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.22565 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.232926 182.6
[M+Na]+ 357.214868 184.5
[M-H]- 333.218374 187.9
[M+NH4]+ 352.259473 195.5
[M+K]+ 373.188808 182.4
[M+H-H2O]+ 317.222910 173.9
[M+HCOO]- 379.223851 201.7
[M+CH3COO]- 393.239501 218.2
[M+Na-2H]- 355.200316 181.4
[M]+ 334.22510142 181.1
[M]- 334.22619858 181.1
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

No patent data available for this compound.