CID 52155

Ethyl 4-(2-diethylaminoacetylamino)salicylate, methiodide

Structural Information

Molecular Formula
C16H25N2O4
SMILES
CC[N+](C)(CC)CC(=O)NC1=CC(=C(C=C1)C(=O)OCC)O
InChI
InChI=1S/C16H24N2O4/c1-5-18(4,6-2)11-15(20)17-12-8-9-13(14(19)10-12)16(21)22-7-3/h8-10H,5-7,11H2,1-4H3,(H-,17,19,20,21)/p+1
InChIKey
YYKJTMQPJBZTTP-UHFFFAOYSA-O
Compound name
[2-(4-ethoxycarbonyl-3-hydroxyanilino)-2-oxoethyl]-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.18143 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.18871 171.6
[M+Na]+ 332.17065 176.2
[M-H]- 308.17415 175.2
[M+NH4]+ 327.21525 186.0
[M+K]+ 348.14459 169.4
[M+H-H2O]+ 292.17869 167.5
[M+HCOO]- 354.17963 193.1
[M+CH3COO]- 368.19528 204.4
[M+Na-2H]- 330.15610 176.6
[M]+ 309.18088 173.9
[M]- 309.18198 173.9
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.