CID 16077091

[2-[4-(azepane-1-carbonyl)phenyl]-5,10b-dihydro-1h-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]-(4-fluorophenyl)methanone

Structural Information

Molecular Formula
C30H28FN3O3
SMILES
C1CCCN(CC1)C(=O)C2=CC=C(C=C2)C3=NN4C(C3)C5=CC=CC=C5OC4C(=O)C6=CC=C(C=C6)F
InChI
InChI=1S/C30H28FN3O3/c31-23-15-13-21(14-16-23)28(35)30-34-26(24-7-3-4-8-27(24)37-30)19-25(32-34)20-9-11-22(12-10-20)29(36)33-17-5-1-2-6-18-33/h3-4,7-16,26,30H,1-2,5-6,17-19H2
InChIKey
OEQYMUOTHAANJS-UHFFFAOYSA-N
Compound name
[2-[4-(azepane-1-carbonyl)phenyl]-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]-(4-fluorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

497.21146 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.21874 221.2
[M+Na]+ 520.20068 224.8
[M-H]- 496.20418 230.6
[M+NH4]+ 515.24528 224.6
[M+K]+ 536.17462 221.9
[M+H-H2O]+ 480.20872 208.1
[M+HCOO]- 542.20966 228.4
[M+CH3COO]- 556.22531 226.0
[M+Na-2H]- 518.18613 216.6
[M]+ 497.21091 213.3
[M]- 497.21201 213.3
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.