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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.16524 171.8
[M+Na]+ 329.14718 174.8
[M-H]- 305.15068 174.7
[M+NH4]+ 324.19178 183.7
[M+K]+ 345.12112 172.2
[M+H-H2O]+ 289.15522 163.1
[M+HCOO]- 351.15616 188.6
[M+CH3COO]- 365.17181 203.8
[M+Na-2H]- 327.13263 172.3
[M]+ 306.15741 169.0
[M]- 306.15851 169.0
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.