CID 39581

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

Structural Information

Molecular Formula
C21H20N2O4
SMILES
CN1CCC2=C(C1)C3=CC4=C(C=C3N2C(=O)C5=CC=C(C=C5)OC)OCO4
InChI
InChI=1S/C21H20N2O4/c1-22-8-7-17-16(11-22)15-9-19-20(27-12-26-19)10-18(15)23(17)21(24)13-3-5-14(25-2)6-4-13/h3-6,9-10H,7-8,11-12H2,1-2H3
InChIKey
VTFXMRKVXPQERE-UHFFFAOYSA-N
Compound name
(4-methoxyphenyl)-(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

364.1423 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.14958 184.7
[M+Na]+ 387.13152 194.1
[M-H]- 363.13502 193.5
[M+NH4]+ 382.17612 198.4
[M+K]+ 403.10546 191.5
[M+H-H2O]+ 347.13956 176.9
[M+HCOO]- 409.14050 199.7
[M+CH3COO]- 423.15615 195.6
[M+Na-2H]- 385.11697 185.5
[M]+ 364.14175 189.4
[M]- 364.14285 189.4
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.