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

29
Patents

254.10553 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.112806 157.2
[M+Na]+ 277.094748 165.0
[M-H]- 253.098254 160.9
[M+NH4]+ 272.139353 173.3
[M+K]+ 293.068688 160.3
[M+H-H2O]+ 237.102790 148.8
[M+HCOO]- 299.103731 175.9
[M+CH3COO]- 313.119381 168.6
[M+Na-2H]- 275.080196 161.0
[M]+ 254.10498142 156.3
[M]- 254.10607858 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