CID 3021560

Brn 4752047

Structural Information

Molecular Formula
C14H13BrN2O
SMILES
COC1=C(C2=C(CCC(=C2)N3C=CN=C3)C=C1)Br
InChI
InChI=1S/C14H13BrN2O/c1-18-13-5-3-10-2-4-11(8-12(10)14(13)15)17-7-6-16-9-17/h3,5-9H,2,4H2,1H3
InChIKey
SPYGPVJHZUPOAQ-UHFFFAOYSA-N
Compound name
1-(8-bromo-7-methoxy-3,4-dihydronaphthalen-2-yl)imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

304.02112 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.02840 164.3
[M+Na]+ 327.01034 169.4
[M+NH4]+ 322.05494 169.6
[M+K]+ 342.98428 169.0
[M-H]- 303.01384 166.4
[M+Na-2H]- 324.99579 168.4
[M]+ 304.02057 164.5
[M]- 304.02167 164.5
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