CID 5362251

1h-indolo(2,3-c)quinolin-1-amine, 2,3,4,7-tetrahydro-3,3,6-trimethyl-, dihydrochloride

Structural Information

Molecular Formula
C18H21N3
SMILES
CC1=C2C(=C3C(CC(CC3=N1)(C)C)N)C4=CC=CC=C4N2
InChI
InChI=1S/C18H21N3/c1-10-17-15(11-6-4-5-7-13(11)21-17)16-12(19)8-18(2,3)9-14(16)20-10/h4-7,12,21H,8-9,19H2,1-3H3
InChIKey
KNOJYWPMDFQPCP-UHFFFAOYSA-N
Compound name
3,3,6-trimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

279.17355 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.180826 167.5
[M+Na]+ 302.162768 178.6
[M-H]- 278.166274 170.3
[M+NH4]+ 297.207373 187.5
[M+K]+ 318.136708 171.0
[M+H-H2O]+ 262.170810 159.6
[M+HCOO]- 324.171751 183.9
[M+CH3COO]- 338.187401 178.7
[M+Na-2H]- 300.148216 172.4
[M]+ 279.17300142 166.1
[M]- 279.17409858 166.1
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.