CID 168281949

Chembl5189007

Structural Information

Molecular Formula
C17H10Cl2N2
SMILES
C1=CC=C2C(=C1)C3=C(C(=N2)C4=CC=C(C=C4)Cl)NC=C3Cl
InChI
InChI=1S/C17H10Cl2N2/c18-11-7-5-10(6-8-11)16-17-15(13(19)9-20-17)12-3-1-2-4-14(12)21-16/h1-9,20H
InChIKey
ACBLNBVBBVQLQO-UHFFFAOYSA-N
Compound name
1-chloro-4-(4-chlorophenyl)-3H-pyrrolo[2,3-c]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.0221 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.02938 168.5
[M+Na]+ 335.01132 181.9
[M-H]- 311.01482 173.0
[M+NH4]+ 330.05592 185.3
[M+K]+ 350.98526 172.2
[M+H-H2O]+ 295.01936 160.5
[M+HCOO]- 357.02030 179.4
[M+CH3COO]- 371.03595 180.2
[M+Na-2H]- 332.99677 173.9
[M]+ 312.02155 172.5
[M]- 312.02265 172.5
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.