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 157.2
[M+Na]+ 277.09475 165.0
[M-H]- 253.09825 160.9
[M+NH4]+ 272.13935 173.3
[M+K]+ 293.06869 160.3
[M+H-H2O]+ 237.10279 148.8
[M+HCOO]- 299.10373 175.9
[M+CH3COO]- 313.11938 168.6
[M+Na-2H]- 275.08020 161.0
[M]+ 254.10498 156.3
[M]- 254.10608 156.3
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

patents stripe