CID 120277

528-97-2

Structural Information

Molecular Formula
C17H28N2O3
SMILES
CCCCNC1=CC(=C(C=C1)O)C(=O)OCCN(CC)CC
InChI
InChI=1S/C17H28N2O3/c1-4-7-10-18-14-8-9-16(20)15(13-14)17(21)22-12-11-19(5-2)6-3/h8-9,13,18,20H,4-7,10-12H2,1-3H3
InChIKey
ILYMJNCQROIQPN-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 5-(butylamino)-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

308.21 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.21728 177.2
[M+Na]+ 331.19922 180.9
[M-H]- 307.20272 180.0
[M+NH4]+ 326.24382 191.6
[M+K]+ 347.17316 179.1
[M+H-H2O]+ 291.20726 169.2
[M+HCOO]- 353.20820 200.0
[M+CH3COO]- 367.22385 214.0
[M+Na-2H]- 329.18467 177.8
[M]+ 308.20945 181.5
[M]- 308.21055 181.5
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