CID 3844917

7,9-dichloro-5-(4-ethoxyphenyl)-2-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

Structural Information

Molecular Formula
C24H20Cl2N2O2
SMILES
CCOC1=CC=C(C=C1)C2N3C(CC(=N3)C4=CC=CC=C4)C5=C(O2)C(=CC(=C5)Cl)Cl
InChI
InChI=1S/C24H20Cl2N2O2/c1-2-29-18-10-8-16(9-11-18)24-28-22(14-21(27-28)15-6-4-3-5-7-15)19-12-17(25)13-20(26)23(19)30-24/h3-13,22,24H,2,14H2,1H3
InChIKey
JVXNBKUJGKNQMW-UHFFFAOYSA-N
Compound name
7,9-dichloro-5-(4-ethoxyphenyl)-2-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

438.09018 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.09746 206.2
[M+Na]+ 461.07940 216.4
[M-H]- 437.08290 214.4
[M+NH4]+ 456.12400 216.5
[M+K]+ 477.05334 208.9
[M+H-H2O]+ 421.08744 195.2
[M+HCOO]- 483.08838 212.2
[M+CH3COO]- 497.10403 214.8
[M+Na-2H]- 459.06485 205.9
[M]+ 438.08963 211.4
[M]- 438.09073 211.4
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.