CID 5072894

303060-47-1

Structural Information

Molecular Formula
C26H19ClN2O2
SMILES
C1C2C3=CC=CC=C3OC(N2N=C1C4=CC5=CC=CC=C5C=C4)C6=C(C=CC(=C6)Cl)O
InChI
InChI=1S/C26H19ClN2O2/c27-19-11-12-24(30)21(14-19)26-29-23(20-7-3-4-8-25(20)31-26)15-22(28-29)18-10-9-16-5-1-2-6-17(16)13-18/h1-14,23,26,30H,15H2
InChIKey
PWGZGULYMMNJJP-UHFFFAOYSA-N
Compound name
4-chloro-2-(2-naphthalen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.1135 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.12078 202.8
[M+Na]+ 449.10272 212.6
[M-H]- 425.10622 211.6
[M+NH4]+ 444.14732 213.0
[M+K]+ 465.07666 204.3
[M+H-H2O]+ 409.11076 191.3
[M+HCOO]- 471.11170 211.4
[M+CH3COO]- 485.12735 211.3
[M+Na-2H]- 447.08817 204.6
[M]+ 426.11295 204.3
[M]- 426.11405 204.3
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.