CID 3737879

303061-34-9

Structural Information

Molecular Formula
C24H20Cl2N2O2
SMILES
CC1=CC=C(C=C1)C2N3C(CC(=N3)C4=CC=C(C=C4)OC)C5=C(O2)C(=CC(=C5)Cl)Cl
InChI
InChI=1S/C24H20Cl2N2O2/c1-14-3-5-16(6-4-14)24-28-22(19-11-17(25)12-20(26)23(19)30-24)13-21(27-28)15-7-9-18(29-2)10-8-15/h3-12,22,24H,13H2,1-2H3
InChIKey
NAAKUXWEAANKQZ-UHFFFAOYSA-N
Compound name
7,9-dichloro-2-(4-methoxyphenyl)-5-(4-methylphenyl)-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

438.09018 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.097456 207.1
[M+Na]+ 461.079398 218.3
[M-H]- 437.082904 215.8
[M+NH4]+ 456.124003 217.8
[M+K]+ 477.053338 210.8
[M+H-H2O]+ 421.087440 196.4
[M+HCOO]- 483.088381 213.2
[M+CH3COO]- 497.104031 216.1
[M+Na-2H]- 459.064846 206.1
[M]+ 438.08963142 212.8
[M]- 438.09072858 212.8
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.