CID 203352

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

Structural Information

Molecular Formula
C21H33N3O4
SMILES
CCN(CC)CCOC(=O)C1=C(C=C(C=C1)NC(=O)CNC2CCCCC2)O
InChI
InChI=1S/C21H33N3O4/c1-3-24(4-2)12-13-28-21(27)18-11-10-17(14-19(18)25)23-20(26)15-22-16-8-6-5-7-9-16/h10-11,14,16,22,25H,3-9,12-13,15H2,1-2H3,(H,23,26)
InChIKey
UUSNDHXDGQSCLL-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 4-[[2-(cyclohexylamino)acetyl]amino]-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.2471 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.25438 195.7
[M+Na]+ 414.23632 194.7
[M-H]- 390.23982 200.1
[M+NH4]+ 409.28092 205.2
[M+K]+ 430.21026 193.0
[M+H-H2O]+ 374.24436 186.0
[M+HCOO]- 436.24530 214.5
[M+CH3COO]- 450.26095 229.9
[M+Na-2H]- 412.22177 193.7
[M]+ 391.24655 193.8
[M]- 391.24765 193.8
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.