CID 203194

Salicylic acid, 4-(2-morpholinoacetamido)-, 2-diethylaminoethyl ester, dihydrochloride

Structural Information

Molecular Formula
C19H29N3O5
SMILES
CCN(CC)CCOC(=O)C1=C(C=C(C=C1)NC(=O)CN2CCOCC2)O
InChI
InChI=1S/C19H29N3O5/c1-3-21(4-2)9-12-27-19(25)16-6-5-15(13-17(16)23)20-18(24)14-22-7-10-26-11-8-22/h5-6,13,23H,3-4,7-12,14H2,1-2H3,(H,20,24)
InChIKey
NYTSZAFYXIDAAJ-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-hydroxy-4-[(2-morpholin-4-ylacetyl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.21072 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.21800 192.7
[M+Na]+ 402.19994 193.5
[M-H]- 378.20344 197.0
[M+NH4]+ 397.24454 200.4
[M+K]+ 418.17388 193.4
[M+H-H2O]+ 362.20798 182.5
[M+HCOO]- 424.20892 209.2
[M+CH3COO]- 438.22457 223.7
[M+Na-2H]- 400.18539 192.2
[M]+ 379.21017 193.4
[M]- 379.21127 193.4
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.