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 161.0
[M+Na]+ 293.08965 173.8
[M+NH4]+ 288.13425 168.3
[M+K]+ 309.06359 169.4
[M-H]- 269.09315 163.1
[M+Na-2H]- 291.07510 167.3
[M]+ 270.09988 163.2
[M]- 270.10098 163.2
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