CID 2765

Cirazoline

Structural Information

Molecular Formula
C13H16N2O
SMILES
C1CC1C2=CC=CC=C2OCC3=NCCN3
InChI
InChI=1S/C13H16N2O/c1-2-4-12(11(3-1)10-5-6-10)16-9-13-14-7-8-15-13/h1-4,10H,5-9H2,(H,14,15)
InChIKey
YAORIDZYZDUZCM-UHFFFAOYSA-N
Compound name
2-[(2-cyclopropylphenoxy)methyl]-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

272
References

1557
Patents

216.12627 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.13355 149.9
[M+Na]+ 239.11549 158.3
[M-H]- 215.11899 155.9
[M+NH4]+ 234.16009 161.8
[M+K]+ 255.08943 153.4
[M+H-H2O]+ 199.12353 141.3
[M+HCOO]- 261.12447 170.7
[M+CH3COO]- 275.14012 161.3
[M+Na-2H]- 237.10094 153.9
[M]+ 216.12572 149.9
[M]- 216.12682 149.9
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