CID 202641

Salicylic acid, 4-(3-piperidinopropionamido)-, methyl ester, hydrochloride

Structural Information

Molecular Formula

C₁₆H₂₂N₂O₄

SMILES

COC(=O)C1=C(C=C(C=C1)NC(=O)CCN2CCCCC2)O

InChI

InChI=1S/C16H22N2O4/c1-22-16(21)13-6-5-12(11-14(13)19)17-15(20)7-10-18-8-3-2-4-9-18/h5-6,11,19H,2-4,7-10H2,1H3,(H,17,20)

InChIKey

BVDPNFUHPVBDEM-UHFFFAOYSA-N

Compound name

methyl 2-hydroxy-4-(3-piperidin-1-ylpropanoylamino)benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 306.15796 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	307.165236	171.8
[M+Na]+	329.147178	174.8
[M-H]-	305.150684	174.7
[M+NH4]+	324.191783	183.7
[M+K]+	345.121118	172.2
[M+H-H2O]+	289.155220	163.1
[M+HCOO]-	351.156161	188.6
[M+CH3COO]-	365.171811	203.8
[M+Na-2H]-	327.132626	172.3
[M]+	306.15741142	169.0
[M]-	306.15850858	169.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.