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]+ 327.01278 165.3
[M+Na]+ 348.99472 176.9
[M-H]- 324.99822 174.1
[M+NH4]+ 344.03932 182.5
[M+K]+ 364.96866 163.9
[M+H-H2O]+ 309.00276 163.1
[M+HCOO]- 371.00370 186.2
[M+CH3COO]- 385.01935 178.9
[M+Na-2H]- 346.98017 174.3
[M]+ 326.00495 183.9
[M]- 326.00605 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.