CID 4091331

51728-10-0

Structural Information

Molecular Formula
C16H11BrN2O
SMILES
C1=CC2=C(C(=C1)N=CC3=C(C=CC(=C3)Br)O)N=CC=C2
InChI
InChI=1S/C16H11BrN2O/c17-13-6-7-15(20)12(9-13)10-19-14-5-1-3-11-4-2-8-18-16(11)14/h1-10,20H
InChIKey
PRMRIQSTCMMWGE-UHFFFAOYSA-N
Compound name
4-bromo-2-(quinolin-8-yliminomethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.0055 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.012776 165.3
[M+Na]+ 348.994718 176.9
[M-H]- 324.998224 174.1
[M+NH4]+ 344.039323 182.5
[M+K]+ 364.968658 163.9
[M+H-H2O]+ 309.002760 163.1
[M+HCOO]- 371.003701 186.2
[M+CH3COO]- 385.019351 178.9
[M+Na-2H]- 346.980166 174.3
[M]+ 326.00495142 183.9
[M]- 326.00604858 183.9
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

No patent data available for this compound.