CID 39628

50332-26-8

Structural Information

Molecular Formula
C21H19NO4
SMILES
COC1=CC=C(C=C1)C(=O)N2C3=C(CCCC3)C4=CC5=C(C=C42)OCO5
InChI
InChI=1S/C21H19NO4/c1-24-14-8-6-13(7-9-14)21(23)22-17-5-3-2-4-15(17)16-10-19-20(11-18(16)22)26-12-25-19/h6-11H,2-5,12H2,1H3
InChIKey
QMJVUUHIQUZGNH-UHFFFAOYSA-N
Compound name
(4-methoxyphenyl)-(5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-b]carbazol-9-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.1314 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.138676 179.2
[M+Na]+ 372.120618 187.9
[M-H]- 348.124124 189.0
[M+NH4]+ 367.165223 194.7
[M+K]+ 388.094558 185.4
[M+H-H2O]+ 332.128660 172.3
[M+HCOO]- 394.129601 195.7
[M+CH3COO]- 408.145251 190.7
[M+Na-2H]- 370.106066 181.1
[M]+ 349.13085142 183.1
[M]- 349.13194858 183.1
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.