CID 5052884

303059-92-9

Structural Information

Molecular Formula
C25H18ClN3O
SMILES
C1C2C3=C(C=CC(=C3)Cl)OC(N2N=C1C4=CC5=CC=CC=C5C=C4)C6=CC=NC=C6
InChI
InChI=1S/C25H18ClN3O/c26-20-7-8-24-21(14-20)23-15-22(19-6-5-16-3-1-2-4-18(16)13-19)28-29(23)25(30-24)17-9-11-27-12-10-17/h1-14,23,25H,15H2
InChIKey
RYRPNVYMOYEEGV-UHFFFAOYSA-N
Compound name
9-chloro-2-naphthalen-2-yl-5-pyridin-4-yl-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

411.11383 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.12111 199.7
[M+Na]+ 434.10305 209.5
[M-H]- 410.10655 207.9
[M+NH4]+ 429.14765 209.4
[M+K]+ 450.07699 201.0
[M+H-H2O]+ 394.11109 186.6
[M+HCOO]- 456.11203 208.4
[M+CH3COO]- 470.12768 208.1
[M+Na-2H]- 432.08850 202.5
[M]+ 411.11328 200.9
[M]- 411.11438 200.9
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.