CID 484144

8-chloro-4-(5-methyl-1h-indol-3-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline

Structural Information

Molecular Formula
C20H19ClN2O
SMILES
CC1=CC2=C(C=C1)NC=C2C3C4CCOC4C5=C(N3)C=CC(=C5)Cl
InChI
InChI=1S/C20H19ClN2O/c1-11-2-4-17-14(8-11)16(10-22-17)19-13-6-7-24-20(13)15-9-12(21)3-5-18(15)23-19/h2-5,8-10,13,19-20,22-23H,6-7H2,1H3
InChIKey
XXLJMNSDAJHDMQ-UHFFFAOYSA-N
Compound name
8-chloro-4-(5-methyl-1H-indol-3-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.1186 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.12588 180.0
[M+Na]+ 361.10782 190.4
[M-H]- 337.11132 185.2
[M+NH4]+ 356.15242 196.1
[M+K]+ 377.08176 182.1
[M+H-H2O]+ 321.11586 172.7
[M+HCOO]- 383.11680 189.2
[M+CH3COO]- 397.13245 190.1
[M+Na-2H]- 359.09327 180.4
[M]+ 338.11805 179.9
[M]- 338.11915 179.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.