CID 168281227

Chembl5182508

Structural Information

Molecular Formula
C18H13ClN2
SMILES
CC1=CC2=NC(=C3C(=C2C=C1)C=CN3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C18H13ClN2/c1-11-2-7-14-15-8-9-20-18(15)17(21-16(14)10-11)12-3-5-13(19)6-4-12/h2-10,20H,1H3
InChIKey
FWRGYOIVOCPKCW-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-7-methyl-3H-pyrrolo[2,3-c]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

292.07672 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.08400 166.9
[M+Na]+ 315.06594 179.7
[M-H]- 291.06944 172.3
[M+NH4]+ 310.11054 184.2
[M+K]+ 331.03988 170.5
[M+H-H2O]+ 275.07398 158.6
[M+HCOO]- 337.07492 182.7
[M+CH3COO]- 351.09057 179.1
[M+Na-2H]- 313.05139 172.8
[M]+ 292.07617 170.0
[M]- 292.07727 170.0
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.