CID 39565

6,7,8,9-tetrahydro-5-(p-fluorobenzoyl)-8-methyl-5h-1,3-dioxolo(4,5-f)pyrido(4,3-b)indole hcl

Structural Information

Molecular Formula
C20H17FN2O3
SMILES
CN1CCC2=C(C1)C3=CC4=C(C=C3N2C(=O)C5=CC=C(C=C5)F)OCO4
InChI
InChI=1S/C20H17FN2O3/c1-22-7-6-16-15(10-22)14-8-18-19(26-11-25-18)9-17(14)23(16)20(24)12-2-4-13(21)5-3-12/h2-5,8-9H,6-7,10-11H2,1H3
InChIKey
MANCOPUGSFKAOZ-UHFFFAOYSA-N
Compound name
(4-fluorophenyl)-(4-methyl-12,14-dioxa-4,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),9,11(15)-tetraen-8-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.1223 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.12958 182.4
[M+Na]+ 375.11152 196.4
[M+NH4]+ 370.15612 190.3
[M+K]+ 391.08546 193.4
[M-H]- 351.11502 187.4
[M+Na-2H]- 373.09697 184.9
[M]+ 352.12175 185.8
[M]- 352.12285 185.8
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.