CID 53001

Dazoxiben

Structural Information

Molecular Formula
C12H12N2O3
SMILES
C1=CC(=CC=C1C(=O)O)OCCN2C=CN=C2
InChI
InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)
InChIKey
XQGZSYKGWHUSDH-UHFFFAOYSA-N
Compound name
4-(2-imidazol-1-ylethoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

318
References

2971
Patents

232.0848 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.09208 151.3
[M+Na]+ 255.07402 163.2
[M+NH4]+ 250.11862 157.7
[M+K]+ 271.04796 159.6
[M-H]- 231.07752 152.3
[M+Na-2H]- 253.05947 158.0
[M]+ 232.08425 153.0
[M]- 232.08535 153.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe