CID 16077080

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

Structural Information

Molecular Formula
C29H26BrN3O3
SMILES
C1CCC(C1)NC(=O)C2=CC=C(C=C2)C3=NN4C(C3)C5=CC=CC=C5OC4C(=O)C6=CC=C(C=C6)Br
InChI
InChI=1S/C29H26BrN3O3/c30-21-15-13-19(14-16-21)27(34)29-33-25(23-7-3-4-8-26(23)36-29)17-24(32-33)18-9-11-20(12-10-18)28(35)31-22-5-1-2-6-22/h3-4,7-16,22,25,29H,1-2,5-6,17H2,(H,31,35)
InChIKey
MIDYZSYXALWCHS-UHFFFAOYSA-N
Compound name
4-[5-(4-bromobenzoyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]-N-cyclopentylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

543.1157 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 544.12298 226.5
[M+Na]+ 566.10492 231.9
[M-H]- 542.10842 239.9
[M+NH4]+ 561.14952 235.3
[M+K]+ 582.07886 221.3
[M+H-H2O]+ 526.11296 223.1
[M+HCOO]- 588.11390 237.5
[M+CH3COO]- 602.12955 234.1
[M+Na-2H]- 564.09037 222.6
[M]+ 543.11515 241.4
[M]- 543.11625 241.4
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.