CID 24847089

1,3,8-triazaspiro(4.5)decan-4-one, 8-(2-benzoxazolyl)-3-methyl-1-phenyl-

Structural Information

Molecular Formula
C21H22N4O2
SMILES
CN1CN(C2(C1=O)CCN(CC2)C3=NC4=CC=CC=C4O3)C5=CC=CC=C5
InChI
InChI=1S/C21H22N4O2/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/h2-10H,11-15H2,1H3
InChIKey
WYLLMDIHVVJPCX-UHFFFAOYSA-N
Compound name
8-(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

362.1743 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.18158 186.9
[M+Na]+ 385.16352 195.7
[M-H]- 361.16702 195.4
[M+NH4]+ 380.20812 198.9
[M+K]+ 401.13746 190.3
[M+H-H2O]+ 345.17156 175.1
[M+HCOO]- 407.17250 201.3
[M+CH3COO]- 421.18815 196.4
[M+Na-2H]- 383.14897 186.6
[M]+ 362.17375 185.1
[M]- 362.17485 185.1
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.