CID 39575

5h-1,3-dioxolo(4,5-f)pyrido(4,3-b)indole, 6,7,8,9-tetrahydro-5-(m-bromobenzoyl)-8-methyl-, monohydrochloride

Structural Information

Molecular Formula
C20H17BrN2O3
SMILES
CN1CCC2=C(C1)C3=CC4=C(C=C3N2C(=O)C5=CC(=CC=C5)Br)OCO4
InChI
InChI=1S/C20H17BrN2O3/c1-22-6-5-16-15(10-22)14-8-18-19(26-11-25-18)9-17(14)23(16)20(24)12-3-2-4-13(21)7-12/h2-4,7-9H,5-6,10-11H2,1H3
InChIKey
IEABYADGAUTTBF-UHFFFAOYSA-N
Compound name
(3-bromophenyl)-(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

412.04224 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.04952 192.1
[M+Na]+ 435.03146 197.1
[M+NH4]+ 430.07606 196.8
[M+K]+ 451.00540 199.1
[M-H]- 411.03496 196.3
[M+Na-2H]- 433.01691 191.8
[M]+ 412.04169 193.0
[M]- 412.04279 193.0
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.