CID 168279797

Chembl5182773

Structural Information

Molecular Formula
C19H15ClN2
SMILES
CC1=CC2=NC(=C3C(=C2C=C1)C=CN3C)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C19H15ClN2/c1-12-3-8-15-16-9-10-22(2)19(16)18(21-17(15)11-12)13-4-6-14(20)7-5-13/h3-11H,1-2H3
InChIKey
HWCSKMDEKKMTLN-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-3,7-dimethylpyrrolo[2,3-c]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

306.09238 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.09966 172.4
[M+Na]+ 329.08160 186.0
[M-H]- 305.08510 179.3
[M+NH4]+ 324.12620 190.0
[M+K]+ 345.05554 177.4
[M+H-H2O]+ 289.08964 163.6
[M+HCOO]- 351.09058 189.3
[M+CH3COO]- 365.10623 185.1
[M+Na-2H]- 327.06705 177.2
[M]+ 306.09183 177.9
[M]- 306.09293 177.9
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.