CID 4993212

303059-95-2

Structural Information

Molecular Formula
C27H18Cl2N2O2
SMILES
C1C2C3=C(C=CC(=C3)Cl)OC(N2N=C1C4=CC5=CC=CC=C5C=C4)C(=O)C6=CC=C(C=C6)Cl
InChI
InChI=1S/C27H18Cl2N2O2/c28-20-9-7-17(8-10-20)26(32)27-31-24(22-14-21(29)11-12-25(22)33-27)15-23(30-31)19-6-5-16-3-1-2-4-18(16)13-19/h1-14,24,27H,15H2
InChIKey
JBOBXRUHHLBHDG-UHFFFAOYSA-N
Compound name
(9-chloro-2-naphthalen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl)-(4-chlorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.07452 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.08180 212.9
[M+Na]+ 495.06374 222.8
[M-H]- 471.06724 221.8
[M+NH4]+ 490.10834 222.2
[M+K]+ 511.03768 214.6
[M+H-H2O]+ 455.07178 201.1
[M+HCOO]- 517.07272 216.7
[M+CH3COO]- 531.08837 220.6
[M+Na-2H]- 493.04919 212.5
[M]+ 472.07397 216.7
[M]- 472.07507 216.7
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.