CID 3121817

9-chloro-5-(3-chlorophenyl)-2-(4-methylphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

Structural Information

Molecular Formula
C23H18Cl2N2O
SMILES
CC1=CC=C(C=C1)C2=NN3C(C2)C4=C(C=CC(=C4)Cl)OC3C5=CC(=CC=C5)Cl
InChI
InChI=1S/C23H18Cl2N2O/c1-14-5-7-15(8-6-14)20-13-21-19-12-18(25)9-10-22(19)28-23(27(21)26-20)16-3-2-4-17(24)11-16/h2-12,21,23H,13H2,1H3
InChIKey
BYSBDOAGQKDXSS-UHFFFAOYSA-N
Compound name
9-chloro-5-(3-chlorophenyl)-2-(4-methylphenyl)-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

408.07962 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.08690 199.4
[M+Na]+ 431.06884 210.4
[M-H]- 407.07234 207.7
[M+NH4]+ 426.11344 211.1
[M+K]+ 447.04278 202.2
[M+H-H2O]+ 391.07688 188.7
[M+HCOO]- 453.07782 205.6
[M+CH3COO]- 467.09347 208.6
[M+Na-2H]- 429.05429 199.4
[M]+ 408.07907 203.0
[M]- 408.08017 203.0
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.