CID 203166

Butyl 4-(3-morpholinopropionylamino)salicylate, hydrochloride

Structural Information

Molecular Formula
C18H26N2O5
SMILES
CCCCOC(=O)C1=C(C=C(C=C1)NC(=O)CCN2CCOCC2)O
InChI
InChI=1S/C18H26N2O5/c1-2-3-10-25-18(23)15-5-4-14(13-16(15)21)19-17(22)6-7-20-8-11-24-12-9-20/h4-5,13,21H,2-3,6-12H2,1H3,(H,19,22)
InChIKey
GDSGDWMGUUSDAX-UHFFFAOYSA-N
Compound name
butyl 2-hydroxy-4-(3-morpholin-4-ylpropanoylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.18417 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.19145 184.7
[M+Na]+ 373.17339 193.0
[M+NH4]+ 368.21799 188.9
[M+K]+ 389.14733 188.8
[M-H]- 349.17689 186.9
[M+Na-2H]- 371.15884 187.1
[M]+ 350.18362 186.0
[M]- 350.18472 186.0
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.