CID 3121861

303060-73-3

Structural Information

Molecular Formula
C23H26N2O2
SMILES
COC1=CC=C(C=C1)C2=NN3C(C2)C4=CC=CC=C4OC3C5CCCCC5
InChI
InChI=1S/C23H26N2O2/c1-26-18-13-11-16(12-14-18)20-15-21-19-9-5-6-10-22(19)27-23(25(21)24-20)17-7-3-2-4-8-17/h5-6,9-14,17,21,23H,2-4,7-8,15H2,1H3
InChIKey
KIXCOVXKIPOHMD-UHFFFAOYSA-N
Compound name
5-cyclohexyl-2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.19943 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.20671 188.2
[M+Na]+ 385.18865 193.1
[M-H]- 361.19215 196.1
[M+NH4]+ 380.23325 199.5
[M+K]+ 401.16259 188.0
[M+H-H2O]+ 345.19669 176.8
[M+HCOO]- 407.19763 200.3
[M+CH3COO]- 421.21328 196.5
[M+Na-2H]- 383.17410 188.5
[M]+ 362.19888 184.3
[M]- 362.19998 184.3
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.