CID 16077079

4-[5-(4-bromobenzoyl)-5,10b-dihydro-1h-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]-n-[(4-methoxyphenyl)methyl]benzamide

Structural Information

Molecular Formula
C32H26BrN3O4
SMILES
COC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)C3=NN4C(C3)C5=CC=CC=C5OC4C(=O)C6=CC=C(C=C6)Br
InChI
InChI=1S/C32H26BrN3O4/c1-39-25-16-6-20(7-17-25)19-34-31(38)23-10-8-21(9-11-23)27-18-28-26-4-2-3-5-29(26)40-32(36(28)35-27)30(37)22-12-14-24(33)15-13-22/h2-17,28,32H,18-19H2,1H3,(H,34,38)
InChIKey
GUPYGIHTCXYDPF-UHFFFAOYSA-N
Compound name
4-[5-(4-bromobenzoyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

595.11066 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 596.11794 239.2
[M+Na]+ 618.09988 245.1
[M-H]- 594.10338 252.3
[M+NH4]+ 613.14448 243.9
[M+K]+ 634.07382 234.6
[M+H-H2O]+ 578.10792 233.4
[M+HCOO]- 640.10886 250.5
[M+CH3COO]- 654.12451 246.0
[M+Na-2H]- 616.08533 238.0
[M]+ 595.11011 257.6
[M]- 595.11121 257.6
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.