CID 39569

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

Structural Information

Molecular Formula
C20H17ClN2O3
SMILES
CN1CCC2=C(C1)C3=CC4=C(C=C3N2C(=O)C5=CC=C(C=C5)Cl)OCO4
InChI
InChI=1S/C20H17ClN2O3/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
OWBFPMLPOZAVFC-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-(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

368.09277 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.10005 182.6
[M+Na]+ 391.08199 198.7
[M+NH4]+ 386.12659 191.7
[M+K]+ 407.05593 194.7
[M-H]- 367.08549 189.3
[M+Na-2H]- 389.06744 186.3
[M]+ 368.09222 187.3
[M]- 368.09332 187.3
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.