CID 39577

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

Structural Information

Molecular Formula
C20H18N2O3
SMILES
CN1CCC2=C(C1)C3=CC4=C(C=C3N2C(=O)C5=CC=CC=C5)OCO4
InChI
InChI=1S/C20H18N2O3/c1-21-8-7-16-15(11-21)14-9-18-19(25-12-24-18)10-17(14)22(16)20(23)13-5-3-2-4-6-13/h2-6,9-10H,7-8,11-12H2,1H3
InChIKey
NHUZKRSTIPDIAB-UHFFFAOYSA-N
Compound name
(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)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.13174 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.13902 176.3
[M+Na]+ 357.12096 191.2
[M+NH4]+ 352.16556 185.2
[M+K]+ 373.09490 188.0
[M-H]- 333.12446 182.9
[M+Na-2H]- 355.10641 180.2
[M]+ 334.13119 180.5
[M]- 334.13229 180.5
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.