CID 5065084

303060-29-9

Structural Information

Molecular Formula
C26H18ClFN2O
SMILES
C1C2C3=C(C=CC(=C3)Cl)OC(N2N=C1C4=CC5=CC=CC=C5C=C4)C6=CC=C(C=C6)F
InChI
InChI=1S/C26H18ClFN2O/c27-20-9-12-25-22(14-20)24-15-23(19-6-5-16-3-1-2-4-18(16)13-19)29-30(24)26(31-25)17-7-10-21(28)11-8-17/h1-14,24,26H,15H2
InChIKey
OOKRFUKWXZYURM-UHFFFAOYSA-N
Compound name
9-chloro-5-(4-fluorophenyl)-2-naphthalen-2-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

428.10916 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.11644 204.5
[M+Na]+ 451.09838 215.1
[M-H]- 427.10188 213.1
[M+NH4]+ 446.14298 215.3
[M+K]+ 467.07232 206.1
[M+H-H2O]+ 411.10642 191.6
[M+HCOO]- 473.10736 213.3
[M+CH3COO]- 487.12301 213.1
[M+Na-2H]- 449.08383 205.6
[M]+ 428.10861 205.4
[M]- 428.10971 205.4
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.