CID 4164474

[9-bromo-2-(4-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl](4-methylphenyl)methanone

Structural Information

Molecular Formula
C25H21BrN2O3
SMILES
CC1=CC=C(C=C1)C(=O)C2N3C(CC(=N3)C4=CC=C(C=C4)OC)C5=C(O2)C=CC(=C5)Br
InChI
InChI=1S/C25H21BrN2O3/c1-15-3-5-17(6-4-15)24(29)25-28-22(20-13-18(26)9-12-23(20)31-25)14-21(27-28)16-7-10-19(30-2)11-8-16/h3-13,22,25H,14H2,1-2H3
InChIKey
SYTRKLHLMAFOPT-UHFFFAOYSA-N
Compound name
[9-bromo-2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]-(4-methylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.07355 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.08083 211.9
[M+Na]+ 499.06277 222.1
[M-H]- 475.06627 223.5
[M+NH4]+ 494.10737 223.1
[M+K]+ 515.03671 211.1
[M+H-H2O]+ 459.07081 208.4
[M+HCOO]- 521.07175 224.7
[M+CH3COO]- 535.08740 222.1
[M+Na-2H]- 497.04822 212.3
[M]+ 476.07300 232.1
[M]- 476.07410 232.1
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.