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]+ 439.09746 207.1
[M+Na]+ 461.07940 218.3
[M-H]- 437.08290 215.8
[M+NH4]+ 456.12400 217.8
[M+K]+ 477.05334 210.8
[M+H-H2O]+ 421.08744 196.4
[M+HCOO]- 483.08838 213.2
[M+CH3COO]- 497.10403 216.1
[M+Na-2H]- 459.06485 206.1
[M]+ 438.08963 212.8
[M]- 438.09073 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.