CID 39573

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

Structural Information

Molecular Formula
C20H17BrN2O3
SMILES
CN1CCC2=C(C1)C3=CC4=C(C=C3N2C(=O)C5=CC=C(C=C5)Br)OCO4
InChI
InChI=1S/C20H17BrN2O3/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
KFIVIZNMEFTCBG-UHFFFAOYSA-N
Compound name
(4-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 193.8
[M+Na]+ 435.03146 206.0
[M-H]- 411.03496 204.8
[M+NH4]+ 430.07606 209.6
[M+K]+ 451.00540 196.9
[M+H-H2O]+ 395.03950 193.4
[M+HCOO]- 457.04044 207.1
[M+CH3COO]- 471.05609 206.1
[M+Na-2H]- 433.01691 195.3
[M]+ 412.04169 215.0
[M]- 412.04279 215.0
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.