CID 484141

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

Structural Information

Molecular Formula
C19H16Cl2N2O
SMILES
C1COC2C1C(NC3=C2C=C(C=C3)Cl)C4=CNC5=C4C=C(C=C5)Cl
InChI
InChI=1S/C19H16Cl2N2O/c20-10-1-3-16-13(7-10)15(9-22-16)18-12-5-6-24-19(12)14-8-11(21)2-4-17(14)23-18/h1-4,7-9,12,18-19,22-23H,5-6H2
InChIKey
MSBZEIJDAKWUEE-UHFFFAOYSA-N
Compound name
8-chloro-4-(5-chloro-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

358.06396 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.07124 182.6
[M+Na]+ 381.05318 193.8
[M-H]- 357.05668 187.0
[M+NH4]+ 376.09778 198.3
[M+K]+ 397.02712 184.9
[M+H-H2O]+ 341.06122 175.5
[M+HCOO]- 403.06216 187.0
[M+CH3COO]- 417.07781 192.2
[M+Na-2H]- 379.03863 182.6
[M]+ 358.06341 183.5
[M]- 358.06451 183.5
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.