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]+ 350.13868 179.2
[M+Na]+ 372.12062 187.9
[M-H]- 348.12412 189.0
[M+NH4]+ 367.16522 194.7
[M+K]+ 388.09456 185.4
[M+H-H2O]+ 332.12866 172.3
[M+HCOO]- 394.12960 195.7
[M+CH3COO]- 408.14525 190.7
[M+Na-2H]- 370.10607 181.1
[M]+ 349.13085 183.1
[M]- 349.13195 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.