CID 3021565

Brn 4756648

Structural Information

Molecular Formula
C15H14N2O3
SMILES
C1CC(=CC2=C1C=CC(=C2)OCC(=O)O)N3C=CN=C3
InChI
InChI=1S/C15H14N2O3/c18-15(19)9-20-14-4-2-11-1-3-13(7-12(11)8-14)17-6-5-16-10-17/h2,4-8,10H,1,3,9H2,(H,18,19)
InChIKey
VIVDZIPZPLHLPZ-UHFFFAOYSA-N
Compound name
2-[(7-imidazol-1-yl-5,6-dihydronaphthalen-2-yl)oxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

270.10043 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.10771 160.0
[M+Na]+ 293.08965 167.5
[M-H]- 269.09315 163.7
[M+NH4]+ 288.13425 175.3
[M+K]+ 309.06359 163.5
[M+H-H2O]+ 253.09769 151.4
[M+HCOO]- 315.09863 178.8
[M+CH3COO]- 329.11428 171.2
[M+Na-2H]- 291.07510 163.9
[M]+ 270.09988 160.4
[M]- 270.10098 160.4
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