CID 39627

50332-25-7

Structural Information

Molecular Formula
C21H19NO3
SMILES
CC1=CC=C(C=C1)C(=O)N2C3=C(CCCC3)C4=CC5=C(C=C42)OCO5
InChI
InChI=1S/C21H19NO3/c1-13-6-8-14(9-7-13)21(23)22-17-5-3-2-4-15(17)16-10-19-20(11-18(16)22)25-12-24-19/h6-11H,2-5,12H2,1H3
InChIKey
HKSVBELEORUCHK-UHFFFAOYSA-N
Compound name
(4-methylphenyl)-(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

333.1365 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.14378 176.7
[M+Na]+ 356.12572 185.7
[M-H]- 332.12922 186.5
[M+NH4]+ 351.17032 193.0
[M+K]+ 372.09966 182.5
[M+H-H2O]+ 316.13376 169.9
[M+HCOO]- 378.13470 193.1
[M+CH3COO]- 392.15035 188.4
[M+Na-2H]- 354.11117 178.4
[M]+ 333.13595 179.2
[M]- 333.13705 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.