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

0
Patents

279.17355 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.18083 167.5
[M+Na]+ 302.16277 178.6
[M-H]- 278.16627 170.3
[M+NH4]+ 297.20737 187.5
[M+K]+ 318.13671 171.0
[M+H-H2O]+ 262.17081 159.6
[M+HCOO]- 324.17175 183.9
[M+CH3COO]- 338.18740 178.7
[M+Na-2H]- 300.14822 172.4
[M]+ 279.17300 166.1
[M]- 279.17410 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.