CID 371278

Nsc645342

Structural Information

Molecular Formula
C21H23NO4
SMILES
CCCCOC1CC2(C(=O)C3=CC=CC=C3N2O1)C4=CC=C(C=C4)OC
InChI
InChI=1S/C21H23NO4/c1-3-4-13-25-19-14-21(15-9-11-16(24-2)12-10-15)20(23)17-7-5-6-8-18(17)22(21)26-19/h5-12,19H,3-4,13-14H2,1-2H3
InChIKey
NACNPPUWAADAGY-UHFFFAOYSA-N
Compound name
2-butoxy-3a-(4-methoxyphenyl)-2,3-dihydro-[1,2]oxazolo[2,3-a]indol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.16272 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.17000 183.5
[M+Na]+ 376.15194 192.2
[M-H]- 352.15544 191.7
[M+NH4]+ 371.19654 201.5
[M+K]+ 392.12588 188.8
[M+H-H2O]+ 336.15998 176.3
[M+HCOO]- 398.16092 202.4
[M+CH3COO]- 412.17657 195.0
[M+Na-2H]- 374.13739 185.2
[M]+ 353.16217 189.2
[M]- 353.16327 189.2
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.