CID 3021569

Brn 4320201

Structural Information

Molecular Formula
C15H14N2O2
SMILES
C1CC(=CC2=C1C=CC(=C2)CC(=O)O)N3C=CN=C3
InChI
InChI=1S/C15H14N2O2/c18-15(19)8-11-1-2-12-3-4-14(9-13(12)7-11)17-6-5-16-10-17/h1-2,5-7,9-10H,3-4,8H2,(H,18,19)
InChIKey
KTVCGQQMSBKUEH-UHFFFAOYSA-N
Compound name
2-(7-imidazol-1-yl-5,6-dihydronaphthalen-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

254.10553 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.11281 157.9
[M+Na]+ 277.09475 171.2
[M+NH4]+ 272.13935 165.8
[M+K]+ 293.06869 166.2
[M-H]- 253.09825 160.5
[M+Na-2H]- 275.08020 164.6
[M]+ 254.10498 160.4
[M]- 254.10608 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