CID 203190

Salicylic acid, 4-(2-(diethylamino)acetamido)-, 2-diethylaminoethyl ester, dihydrochloride

Structural Information

Molecular Formula
C19H31N3O4
SMILES
CCN(CC)CCOC(=O)C1=C(C=C(C=C1)NC(=O)CN(CC)CC)O
InChI
InChI=1S/C19H31N3O4/c1-5-21(6-2)11-12-26-19(25)16-10-9-15(13-17(16)23)20-18(24)14-22(7-3)8-4/h9-10,13,23H,5-8,11-12,14H2,1-4H3,(H,20,24)
InChIKey
TVJJVVZVZSQYJY-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 4-[[2-(diethylamino)acetyl]amino]-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.23145 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.23873 192.2
[M+Na]+ 388.22067 194.1
[M-H]- 364.22417 196.1
[M+NH4]+ 383.26527 204.2
[M+K]+ 404.19461 194.2
[M+H-H2O]+ 348.22871 183.2
[M+HCOO]- 410.22965 215.1
[M+CH3COO]- 424.24530 230.1
[M+Na-2H]- 386.20612 190.3
[M]+ 365.23090 197.6
[M]- 365.23200 197.6
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.