CID 44422

6h-indolo(2,3-c)quinolin-6-one, 5,7-dihydro-10-chloro-5-(2-(dimethylamino)ethyl)-, monohydrochloride

Structural Information

Molecular Formula
C19H18ClN3O
SMILES
CN(C)CCN1C2=CC=CC=C2C3=C(C1=O)NC4=C3C=C(C=C4)Cl
InChI
InChI=1S/C19H18ClN3O/c1-22(2)9-10-23-16-6-4-3-5-13(16)17-14-11-12(20)7-8-15(14)21-18(17)19(23)24/h3-8,11,21H,9-10H2,1-2H3
InChIKey
HLXLOSASJAVRJS-UHFFFAOYSA-N
Compound name
10-chloro-5-[2-(dimethylamino)ethyl]-7H-indolo[2,3-c]quinolin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

339.11383 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.12111 179.1
[M+Na]+ 362.10305 192.3
[M-H]- 338.10655 184.0
[M+NH4]+ 357.14765 196.2
[M+K]+ 378.07699 184.3
[M+H-H2O]+ 322.11109 170.9
[M+HCOO]- 384.11203 196.0
[M+CH3COO]- 398.12768 191.0
[M+Na-2H]- 360.08850 185.1
[M]+ 339.11328 186.9
[M]- 339.11438 186.9
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

patents stripe