CID 3057326

Ethyl 4-(3-(diethylamino)propionylamino)salicylate, methiodide

Structural Information

Molecular Formula
C17H27N2O4
SMILES
CC[N+](C)(CC)CCC(=O)NC1=CC(=C(C=C1)C(=O)OCC)O
InChI
InChI=1S/C17H26N2O4/c1-5-19(4,6-2)11-10-16(21)18-13-8-9-14(15(20)12-13)17(22)23-7-3/h8-9,12H,5-7,10-11H2,1-4H3,(H-,18,20,21,22)/p+1
InChIKey
KLLFEUKMZOXGEL-UHFFFAOYSA-O
Compound name
[3-(4-ethoxycarbonyl-3-hydroxyanilino)-3-oxopropyl]-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.19708 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.20436 176.3
[M+Na]+ 346.18630 180.5
[M-H]- 322.18980 179.7
[M+NH4]+ 341.23090 190.1
[M+K]+ 362.16024 173.4
[M+H-H2O]+ 306.19434 172.0
[M+HCOO]- 368.19528 197.5
[M+CH3COO]- 382.21093 207.4
[M+Na-2H]- 344.17175 180.8
[M]+ 323.19653 178.9
[M]- 323.19763 178.9
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.