CID 3697734

9-chloro-2,5-bis(4-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

Structural Information

Molecular Formula
C24H21ClN2O3
SMILES
COC1=CC=C(C=C1)C2N3C(CC(=N3)C4=CC=C(C=C4)OC)C5=C(O2)C=CC(=C5)Cl
InChI
InChI=1S/C24H21ClN2O3/c1-28-18-8-3-15(4-9-18)21-14-22-20-13-17(25)7-12-23(20)30-24(27(22)26-21)16-5-10-19(29-2)11-6-16/h3-13,22,24H,14H2,1-2H3
InChIKey
UHOWCOKHCPMTAJ-UHFFFAOYSA-N
Compound name
9-chloro-2,5-bis(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

420.12408 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.13136 201.1
[M+Na]+ 443.11330 219.6
[M+NH4]+ 438.15790 210.2
[M+K]+ 459.08724 211.2
[M-H]- 419.11680 209.5
[M+Na-2H]- 441.09875 208.9
[M]+ 420.12353 206.8
[M]- 420.12463 206.8
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.