CID 380310

Nsc665790

Structural Information

Molecular Formula
C21H24N4O2
SMILES
CN1CN(C2(C1=O)CCN(CC2)C3NC4=CC=CC=C4O3)C5=CC=CC=C5
InChI
InChI=1S/C21H24N4O2/c1-23-15-25(16-7-3-2-4-8-16)21(19(23)26)11-13-24(14-12-21)20-22-17-9-5-6-10-18(17)27-20/h2-10,20,22H,11-15H2,1H3
InChIKey
BBCDWLCGGNXTTK-UHFFFAOYSA-N
Compound name
8-(2,3-dihydro-1,3-benzoxazol-2-yl)-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.1899 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.19718 189.0
[M+Na]+ 387.17912 195.3
[M-H]- 363.18262 195.4
[M+NH4]+ 382.22372 200.0
[M+K]+ 403.15306 189.5
[M+H-H2O]+ 347.18716 177.5
[M+HCOO]- 409.18810 199.0
[M+CH3COO]- 423.20375 196.8
[M+Na-2H]- 385.16457 186.4
[M]+ 364.18935 182.7
[M]- 364.19045 182.7
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.