CID 168273546

Chembl5174340

Structural Information

Molecular Formula
C21H16ClFN2
SMILES
C1CC1CN2C=CC3=C4C=CC(=CC4=NC(=C32)C5=CC=C(C=C5)Cl)F
InChI
InChI=1S/C21H16ClFN2/c22-15-5-3-14(4-6-15)20-21-18(9-10-25(21)12-13-1-2-13)17-8-7-16(23)11-19(17)24-20/h3-11,13H,1-2,12H2
InChIKey
VUFSQHJZKBTGHF-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-3-(cyclopropylmethyl)-7-fluoropyrrolo[2,3-c]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.0986 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.10588 181.5
[M+Na]+ 373.08782 195.3
[M-H]- 349.09132 189.4
[M+NH4]+ 368.13242 192.1
[M+K]+ 389.06176 185.4
[M+H-H2O]+ 333.09586 171.2
[M+HCOO]- 395.09680 197.1
[M+CH3COO]- 409.11245 192.3
[M+Na-2H]- 371.07327 184.4
[M]+ 350.09805 187.0
[M]- 350.09915 187.0
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.