CID 3121857

(4-cl-ph)(2-(4-meo-ph)1,10b-dihydropyrazolo(1,5-c)(1,3)benzoxazin-5-yl)methanone

Structural Information

Molecular Formula
C24H19ClN2O3
SMILES
COC1=CC=C(C=C1)C2=NN3C(C2)C4=CC=CC=C4OC3C(=O)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C24H19ClN2O3/c1-29-18-12-8-15(9-13-18)20-14-21-19-4-2-3-5-22(19)30-24(27(21)26-20)23(28)16-6-10-17(25)11-7-16/h2-13,21,24H,14H2,1H3
InChIKey
UPXNRWNCUDFBCR-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-[2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.10843 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.11571 200.4
[M+Na]+ 441.09765 209.1
[M-H]- 417.10115 209.5
[M+NH4]+ 436.14225 210.5
[M+K]+ 457.07159 203.0
[M+H-H2O]+ 401.10569 189.4
[M+HCOO]- 463.10663 211.0
[M+CH3COO]- 477.12228 209.4
[M+Na-2H]- 439.08310 201.0
[M]+ 418.10788 204.1
[M]- 418.10898 204.1
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.