CID 3060783

78280-34-9

Structural Information

Molecular Formula
C21H34N2O3
SMILES
CCCCNC1=CC(=C(C=C1)C(=O)OC2CCCCC2N(CC)CC)O
InChI
InChI=1S/C21H34N2O3/c1-4-7-14-22-16-12-13-17(19(24)15-16)21(25)26-20-11-9-8-10-18(20)23(5-2)6-3/h12-13,15,18,20,22,24H,4-11,14H2,1-3H3
InChIKey
LPMLOFSGVAMQJB-UHFFFAOYSA-N
Compound name
[2-(diethylamino)cyclohexyl] 4-(butylamino)-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.25696 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.26424 191.5
[M+Na]+ 385.24618 192.4
[M-H]- 361.24968 196.3
[M+NH4]+ 380.29078 203.2
[M+K]+ 401.22012 189.9
[M+H-H2O]+ 345.25422 182.4
[M+HCOO]- 407.25516 209.9
[M+CH3COO]- 421.27081 224.1
[M+Na-2H]- 383.23163 189.2
[M]+ 362.25641 190.7
[M]- 362.25751 190.7
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.