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]+ 439.097456 206.2
[M+Na]+ 461.079398 216.4
[M-H]- 437.082904 214.4
[M+NH4]+ 456.124003 216.5
[M+K]+ 477.053338 208.9
[M+H-H2O]+ 421.087440 195.2
[M+HCOO]- 483.088381 212.2
[M+CH3COO]- 497.104031 214.8
[M+Na-2H]- 459.064846 205.9
[M]+ 438.08963142 211.4
[M]- 438.09072858 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.