CID 16077078

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

Structural Information

Molecular Formula
C30H23BrN4O3
SMILES
C1C2C3=CC=CC=C3OC(N2N=C1C4=CC=C(C=C4)C(=O)NCC5=CC=CC=N5)C(=O)C6=CC=C(C=C6)Br
InChI
InChI=1S/C30H23BrN4O3/c31-22-14-12-20(13-15-22)28(36)30-35-26(24-6-1-2-7-27(24)38-30)17-25(34-35)19-8-10-21(11-9-19)29(37)33-18-23-5-3-4-16-32-23/h1-16,26,30H,17-18H2,(H,33,37)
InChIKey
BHOINAWKTSZPOJ-UHFFFAOYSA-N
Compound name
4-[5-(4-bromobenzoyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]-N-(pyridin-2-ylmethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

566.09534 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 567.10262 229.4
[M+Na]+ 589.08456 235.8
[M-H]- 565.08806 241.5
[M+NH4]+ 584.12916 234.0
[M+K]+ 605.05850 224.4
[M+H-H2O]+ 549.09260 223.5
[M+HCOO]- 611.09354 240.2
[M+CH3COO]- 625.10919 236.4
[M+Na-2H]- 587.07001 229.9
[M]+ 566.09479 246.3
[M]- 566.09589 246.3
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.