CID 3121888

303059-67-8

Structural Information

Molecular Formula
C23H19ClN2O2
SMILES
COC1=CC=C(C=C1)C2=NN3C(C2)C4=C(C=CC(=C4)Cl)OC3C5=CC=CC=C5
InChI
InChI=1S/C23H19ClN2O2/c1-27-18-10-7-15(8-11-18)20-14-21-19-13-17(24)9-12-22(19)28-23(26(21)25-20)16-5-3-2-4-6-16/h2-13,21,23H,14H2,1H3
InChIKey
SGHPXDLMYHPLOH-UHFFFAOYSA-N
Compound name
9-chloro-2-(4-methoxyphenyl)-5-phenyl-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

390.1135 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.12078 193.3
[M+Na]+ 413.10272 212.2
[M+NH4]+ 408.14732 203.1
[M+K]+ 429.07666 203.3
[M-H]- 389.10622 202.1
[M+Na-2H]- 411.08817 202.0
[M]+ 390.11295 199.2
[M]- 390.11405 199.2
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.