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 176.6
[M+Na]+ 357.12096 185.9
[M-H]- 333.12446 185.1
[M+NH4]+ 352.16556 191.4
[M+K]+ 373.09490 182.8
[M+H-H2O]+ 317.12900 168.8
[M+HCOO]- 379.12994 191.9
[M+CH3COO]- 393.14559 187.8
[M+Na-2H]- 355.10641 178.4
[M]+ 334.13119 179.2
[M]- 334.13229 179.2
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.