CID 168281950

Chembl5189008

Structural Information

Molecular Formula
C17H10BrClN2
SMILES
C1=CC=C2C(=C1)C3=C(C(=N2)C4=CC=C(C=C4)Cl)NC=C3Br
InChI
InChI=1S/C17H10BrClN2/c18-13-9-20-17-15(13)12-3-1-2-4-14(12)21-16(17)10-5-7-11(19)8-6-10/h1-9,20H
InChIKey
NCJWNCFDKWZCCI-UHFFFAOYSA-N
Compound name
1-bromo-4-(4-chlorophenyl)-3H-pyrrolo[2,3-c]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

355.9716 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.97888 173.8
[M+Na]+ 378.96082 189.3
[M-H]- 354.96432 181.8
[M+NH4]+ 374.00542 192.3
[M+K]+ 394.93476 173.9
[M+H-H2O]+ 338.96886 172.9
[M+HCOO]- 400.96980 188.0
[M+CH3COO]- 414.98545 187.5
[M+Na-2H]- 376.94627 180.9
[M]+ 355.97105 194.9
[M]- 355.97215 194.9
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

No patent data available for this compound.