CID 3121878

303061-28-1

Structural Information

Molecular Formula
C20H21ClN2O2
SMILES
CC(C)C1N2C(CC(=N2)C3=CC=C(C=C3)OC)C4=C(O1)C=CC(=C4)Cl
InChI
InChI=1S/C20H21ClN2O2/c1-12(2)20-23-18(16-10-14(21)6-9-19(16)25-20)11-17(22-23)13-4-7-15(24-3)8-5-13/h4-10,12,18,20H,11H2,1-3H3
InChIKey
CYHQCUBKDGXDQN-UHFFFAOYSA-N
Compound name
9-chloro-2-(4-methoxyphenyl)-5-propan-2-yl-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

356.12915 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.13643 186.3
[M+Na]+ 379.11837 195.7
[M-H]- 355.12187 192.6
[M+NH4]+ 374.16297 200.0
[M+K]+ 395.09231 190.4
[M+H-H2O]+ 339.12641 177.3
[M+HCOO]- 401.12735 196.9
[M+CH3COO]- 415.14300 196.5
[M+Na-2H]- 377.10382 187.0
[M]+ 356.12860 190.6
[M]- 356.12970 190.6
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.