CID 4552168

7,9-dichloro-5-(4-fluorophenyl)-2-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

Structural Information

Molecular Formula
C22H15Cl2FN2O
SMILES
C1C2C3=C(C(=CC(=C3)Cl)Cl)OC(N2N=C1C4=CC=CC=C4)C5=CC=C(C=C5)F
InChI
InChI=1S/C22H15Cl2FN2O/c23-15-10-17-20-12-19(13-4-2-1-3-5-13)26-27(20)22(28-21(17)18(24)11-15)14-6-8-16(25)9-7-14/h1-11,20,22H,12H2
InChIKey
AMLAQUNXECBGFK-UHFFFAOYSA-N
Compound name
7,9-dichloro-5-(4-fluorophenyl)-2-phenyl-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

412.05453 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.06181 197.3
[M+Na]+ 435.04375 208.9
[M-H]- 411.04725 204.5
[M+NH4]+ 430.08835 208.8
[M+K]+ 451.01769 200.4
[M+H-H2O]+ 395.05179 185.9
[M+HCOO]- 457.05273 202.9
[M+CH3COO]- 471.06838 206.5
[M+Na-2H]- 433.02920 197.4
[M]+ 412.05398 199.8
[M]- 412.05508 199.8
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.