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]+ 363.181576 186.9
[M+Na]+ 385.163518 195.7
[M-H]- 361.167024 195.4
[M+NH4]+ 380.208123 198.9
[M+K]+ 401.137458 190.3
[M+H-H2O]+ 345.171560 175.1
[M+HCOO]- 407.172501 201.3
[M+CH3COO]- 421.188151 196.4
[M+Na-2H]- 383.148966 186.6
[M]+ 362.17375142 185.1
[M]- 362.17484858 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.