CID 170601

Quinethindole

Structural Information

Molecular Formula
C25H26N4
SMILES
C1CN2CC3=C(CC2CN1CCC4=NC5=CC=CC=C5C=C4)C6=CC=CC=C6N3
InChI
InChI=1S/C25H26N4/c1-3-7-23-18(5-1)9-10-19(26-23)11-12-28-13-14-29-17-25-22(15-20(29)16-28)21-6-2-4-8-24(21)27-25/h1-10,20,27H,11-17H2
InChIKey
NDPJSCSKAKGLKR-UHFFFAOYSA-N
Compound name
6-(2-quinolin-2-ylethyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

382.21576 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.22304 193.2
[M+Na]+ 405.20498 199.7
[M-H]- 381.20848 195.3
[M+NH4]+ 400.24958 203.4
[M+K]+ 421.17892 189.3
[M+H-H2O]+ 365.21302 179.8
[M+HCOO]- 427.21396 201.6
[M+CH3COO]- 441.22961 199.5
[M+Na-2H]- 403.19043 196.4
[M]+ 382.21521 188.3
[M]- 382.21631 188.3
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.