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

17
Patents

270.10043 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.107706 160.0
[M+Na]+ 293.089648 167.5
[M-H]- 269.093154 163.7
[M+NH4]+ 288.134253 175.3
[M+K]+ 309.063588 163.5
[M+H-H2O]+ 253.097690 151.4
[M+HCOO]- 315.098631 178.8
[M+CH3COO]- 329.114281 171.2
[M+Na-2H]- 291.075096 163.9
[M]+ 270.09988142 160.4
[M]- 270.10097858 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