CID 39630

50332-28-0

Structural Information

Molecular Formula
C20H23NO3
SMILES
C1CCC(C1)CC(=O)N2C3=C(CCCC3)C4=CC5=C(C=C42)OCO5
InChI
InChI=1S/C20H23NO3/c22-20(9-13-5-1-2-6-13)21-16-8-4-3-7-14(16)15-10-18-19(11-17(15)21)24-12-23-18/h10-11,13H,1-9,12H2
InChIKey
MWFCNOZYORBKID-UHFFFAOYSA-N
Compound name
2-cyclopentyl-1-(5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-b]carbazol-9-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.1678 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.17508 175.3
[M+Na]+ 348.15702 181.6
[M-H]- 324.16052 184.3
[M+NH4]+ 343.20162 193.4
[M+K]+ 364.13096 179.2
[M+H-H2O]+ 308.16506 170.2
[M+HCOO]- 370.16600 190.1
[M+CH3COO]- 384.18165 186.2
[M+Na-2H]- 346.14247 173.4
[M]+ 325.16725 175.3
[M]- 325.16835 175.3
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.