CID 370210

Nsc642954

Structural Information

Molecular Formula
C17H11Br2NO2
SMILES
CC1=CC2=C(C(=C(C=C2Br)Br)O)N=C1C(=O)C3=CC=CC=C3
InChI
InChI=1S/C17H11Br2NO2/c1-9-7-11-12(18)8-13(19)17(22)15(11)20-14(9)16(21)10-5-3-2-4-6-10/h2-8,22H,1H3
InChIKey
NGWZHHIVXCJLBA-UHFFFAOYSA-N
Compound name
(5,7-dibromo-8-hydroxy-3-methylquinolin-2-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.91565 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.92293 168.3
[M+Na]+ 441.90487 178.8
[M-H]- 417.90837 176.2
[M+NH4]+ 436.94947 182.8
[M+K]+ 457.87881 163.4
[M+H-H2O]+ 401.91291 175.4
[M+HCOO]- 463.91385 180.9
[M+CH3COO]- 477.92950 180.5
[M+Na-2H]- 439.89032 173.2
[M]+ 418.91510 202.8
[M]- 418.91620 202.8
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.