CID 11324315

Dtxsid501374934

Structural Information

Molecular Formula
C16H23NO5
SMILES
CCCCCCCCOC(=O)NC1=CC(=C(C=C1)C(=O)O)O
InChI
InChI=1S/C16H23NO5/c1-2-3-4-5-6-7-10-22-16(21)17-12-8-9-13(15(19)20)14(18)11-12/h8-9,11,18H,2-7,10H2,1H3,(H,17,21)(H,19,20)
InChIKey
YBTWCLGDRWCRPN-UHFFFAOYSA-N
Compound name
2-hydroxy-4-(octoxycarbonylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

257
Patents

309.15762 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.16490 173.4
[M+Na]+ 332.14684 177.6
[M-H]- 308.15034 173.6
[M+NH4]+ 327.19144 186.5
[M+K]+ 348.12078 175.0
[M+H-H2O]+ 292.15488 166.2
[M+HCOO]- 354.15582 193.1
[M+CH3COO]- 368.17147 203.9
[M+Na-2H]- 330.13229 173.5
[M]+ 309.15707 176.4
[M]- 309.15817 176.4
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

patents stripe