CID 203178

14028-05-8

Structural Information

Molecular Formula
C19H28N2O5
SMILES
CCCCCOC(=O)C1=C(C=C(C=C1)NC(=O)CCN2CCOCC2)O
InChI
InChI=1S/C19H28N2O5/c1-2-3-4-11-26-19(24)16-6-5-15(14-17(16)22)20-18(23)7-8-21-9-12-25-13-10-21/h5-6,14,22H,2-4,7-13H2,1H3,(H,20,23)
InChIKey
IAYZPWLLCBFJLH-UHFFFAOYSA-N
Compound name
pentyl 2-hydroxy-4-(3-morpholin-4-ylpropanoylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.19983 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.20711 189.1
[M+Na]+ 387.18905 190.7
[M-H]- 363.19255 192.0
[M+NH4]+ 382.23365 197.2
[M+K]+ 403.16299 189.0
[M+H-H2O]+ 347.19709 179.4
[M+HCOO]- 409.19803 204.1
[M+CH3COO]- 423.21368 215.1
[M+Na-2H]- 385.17450 188.8
[M]+ 364.19928 189.3
[M]- 364.20038 189.3
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

No patent data available for this compound.