CID 374520

Nsc652271

Structural Information

Molecular Formula
C22H19NO3
SMILES
C1CC2CC1C(=O)C23CC4(C(=O)C5=CC=CC=C5N4O3)C6=CC=CC=C6
InChI
InChI=1S/C22H19NO3/c24-19-14-10-11-16(12-14)22(19)13-21(15-6-2-1-3-7-15)20(25)17-8-4-5-9-18(17)23(21)26-22/h1-9,14,16H,10-13H2
InChIKey
BPLOZJUEXDCQPQ-UHFFFAOYSA-N
Compound name
3a-phenylspiro[3H-[1,2]oxazolo[2,3-a]indole-2,3'-bicyclo[2.2.1]heptane]-2',4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.1365 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.14378 181.0
[M+Na]+ 368.12572 191.0
[M-H]- 344.12922 191.8
[M+NH4]+ 363.17032 206.0
[M+K]+ 384.09966 185.5
[M+H-H2O]+ 328.13376 175.9
[M+HCOO]- 390.13470 197.7
[M+CH3COO]- 404.15035 192.8
[M+Na-2H]- 366.11117 179.1
[M]+ 345.13595 181.8
[M]- 345.13705 181.8
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.