CID 3382958

303059-75-8

Structural Information

Molecular Formula
C23H24Cl2N2O2
SMILES
COC1=CC=C(C=C1)C2=NN3C(C2)C4=C(C(=CC(=C4)Cl)Cl)OC3C5CCCCC5
InChI
InChI=1S/C23H24Cl2N2O2/c1-28-17-9-7-14(8-10-17)20-13-21-18-11-16(24)12-19(25)22(18)29-23(27(21)26-20)15-5-3-2-4-6-15/h7-12,15,21,23H,2-6,13H2,1H3
InChIKey
UHFYHZVFSDUZRR-UHFFFAOYSA-N
Compound name
7,9-dichloro-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

430.1215 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.12878 204.8
[M+Na]+ 453.11072 212.5
[M-H]- 429.11422 212.0
[M+NH4]+ 448.15532 215.2
[M+K]+ 469.08466 205.5
[M+H-H2O]+ 413.11876 194.0
[M+HCOO]- 475.11970 207.0
[M+CH3COO]- 489.13535 212.3
[M+Na-2H]- 451.09617 202.1
[M]+ 430.12095 205.5
[M]- 430.12205 205.5
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.