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]+ 307.16524 170.7
[M+Na]+ 329.14718 172.7
[M-H]- 305.15068 174.8
[M+NH4]+ 324.19178 183.6
[M+K]+ 345.12112 170.5
[M+H-H2O]+ 289.15522 162.5
[M+HCOO]- 351.15616 189.8
[M+CH3COO]- 365.17181 206.4
[M+Na-2H]- 327.13263 171.5
[M]+ 306.15741 166.6
[M]- 306.15851 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.