CID 203264

Salicylic acid, 4-(2-(cyclohexylamino)acetamido)-, methyl ester, monohydrochloride

Structural Information

Molecular Formula
C16H22N2O4
SMILES
COC(=O)C1=C(C=C(C=C1)NC(=O)CNC2CCCCC2)O
InChI
InChI=1S/C16H22N2O4/c1-22-16(21)13-8-7-12(9-14(13)19)18-15(20)10-17-11-5-3-2-4-6-11/h7-9,11,17,19H,2-6,10H2,1H3,(H,18,20)
InChIKey
YLVBPPHKQWCWDE-UHFFFAOYSA-N
Compound name
methyl 4-[[2-(cyclohexylamino)acetyl]amino]-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.15796 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.165236 170.7
[M+Na]+ 329.147178 172.7
[M-H]- 305.150684 174.8
[M+NH4]+ 324.191783 183.6
[M+K]+ 345.121118 170.5
[M+H-H2O]+ 289.155220 162.5
[M+HCOO]- 351.156161 189.8
[M+CH3COO]- 365.171811 206.4
[M+Na-2H]- 327.132626 171.5
[M]+ 306.15741142 166.6
[M]- 306.15850858 166.6
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.