CID 367130

Nsc636517

Structural Information

Molecular Formula
C21H17NO3
SMILES
CC12C3C(CC(=C1C4=CC=CC=C4N2)C5=CC=CC=C5)C(=O)OC3=O
InChI
InChI=1S/C21H17NO3/c1-21-17(13-9-5-6-10-16(13)22-21)14(12-7-3-2-4-8-12)11-15-18(21)20(24)25-19(15)23/h2-10,15,18,22H,11H2,1H3
InChIKey
VLCGADBNBBMNEO-UHFFFAOYSA-N
Compound name
10a-methyl-5-phenyl-3a,4,10,10b-tetrahydrofuro[3,4-a]carbazole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.12085 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.12813 176.9
[M+Na]+ 354.11007 186.9
[M-H]- 330.11357 185.1
[M+NH4]+ 349.15467 196.1
[M+K]+ 370.08401 180.9
[M+H-H2O]+ 314.11811 170.0
[M+HCOO]- 376.11905 192.5
[M+CH3COO]- 390.13470 188.2
[M+Na-2H]- 352.09552 178.6
[M]+ 331.12030 176.5
[M]- 331.12140 176.5
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.