CID 484043

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

Structural Information

Molecular Formula
C19H17Cl2N3
SMILES
C1CNC2C1C(NC3=C2C=C(C=C3)Cl)C4=CNC5=C4C=C(C=C5)Cl
InChI
InChI=1S/C19H17Cl2N3/c20-10-1-3-16-13(7-10)15(9-23-16)19-12-5-6-22-18(12)14-8-11(21)2-4-17(14)24-19/h1-4,7-9,12,18-19,22-24H,5-6H2
InChIKey
LRXPVHXBVVJXRU-UHFFFAOYSA-N
Compound name
8-chloro-4-(5-chloro-1H-indol-3-yl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.07996 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.08724 182.7
[M+Na]+ 380.06918 193.3
[M-H]- 356.07268 183.8
[M+NH4]+ 375.11378 197.6
[M+K]+ 396.04312 182.1
[M+H-H2O]+ 340.07722 174.6
[M+HCOO]- 402.07816 185.1
[M+CH3COO]- 416.09381 190.9
[M+Na-2H]- 378.05463 181.9
[M]+ 357.07941 180.3
[M]- 357.08051 180.3
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.