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]+ 335.23293 182.6
[M+Na]+ 357.21487 184.5
[M-H]- 333.21837 187.9
[M+NH4]+ 352.25947 195.5
[M+K]+ 373.18881 182.4
[M+H-H2O]+ 317.22291 173.9
[M+HCOO]- 379.22385 201.7
[M+CH3COO]- 393.23950 218.2
[M+Na-2H]- 355.20032 181.4
[M]+ 334.22510 181.1
[M]- 334.22620 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.