CID 3416262

303107-09-7

Structural Information

Molecular Formula
C22H20ClN3O2
SMILES
CN(C)C1=CC=C(C=C1)C2N3C(CC(=N3)C4=CC=CO4)C5=C(O2)C=CC(=C5)Cl
InChI
InChI=1S/C22H20ClN3O2/c1-25(2)16-8-5-14(6-9-16)22-26-19(13-18(24-26)21-4-3-11-27-21)17-12-15(23)7-10-20(17)28-22/h3-12,19,22H,13H2,1-2H3
InChIKey
HQCKEOFGWSJNCL-UHFFFAOYSA-N
Compound name
4-[9-chloro-2-(furan-2-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.1244 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.13168 195.8
[M+Na]+ 416.11362 205.2
[M-H]- 392.11712 207.6
[M+NH4]+ 411.15822 208.3
[M+K]+ 432.08756 201.1
[M+H-H2O]+ 376.12166 186.6
[M+HCOO]- 438.12260 209.3
[M+CH3COO]- 452.13825 206.4
[M+Na-2H]- 414.09907 195.5
[M]+ 393.12385 201.0
[M]- 393.12495 201.0
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.