CID 170916473

Z2607647274

Structural Information

Molecular Formula
C19H19NO4
SMILES
COC1=CC2=C(C=C1)C=C(C=C2)CNC(=O)C3(CC=CC3)C(=O)O
InChI
InChI=1S/C19H19NO4/c1-24-16-7-6-14-10-13(4-5-15(14)11-16)12-20-17(21)19(18(22)23)8-2-3-9-19/h2-7,10-11H,8-9,12H2,1H3,(H,20,21)(H,22,23)
InChIKey
MPZYWOXPFFBFLV-UHFFFAOYSA-N
Compound name
1-[(6-methoxynaphthalen-2-yl)methylcarbamoyl]cyclopent-3-ene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.1314 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.138676 175.8
[M+Na]+ 348.120618 181.6
[M-H]- 324.124124 181.9
[M+NH4]+ 343.165223 193.1
[M+K]+ 364.094558 177.8
[M+H-H2O]+ 308.128660 168.8
[M+HCOO]- 370.129601 196.2
[M+CH3COO]- 384.145251 207.0
[M+Na-2H]- 346.106066 178.4
[M]+ 325.13085142 176.3
[M]- 325.13194858 176.3
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.