CID 3121871

303060-77-7

Structural Information

Molecular Formula
C23H19ClN2O3
SMILES
COC1=CC=C(C=C1)C2=NN3C(C2)C4=CC=CC=C4OC3C5=C(C=CC(=C5)Cl)O
InChI
InChI=1S/C23H19ClN2O3/c1-28-16-9-6-14(7-10-16)19-13-20-17-4-2-3-5-22(17)29-23(26(20)25-19)18-12-15(24)8-11-21(18)27/h2-12,20,23,27H,13H2,1H3
InChIKey
NXMDOTLESVFPMP-UHFFFAOYSA-N
Compound name
4-chloro-2-[2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.10843 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.11571 197.3
[M+Na]+ 429.09765 207.1
[M-H]- 405.10115 205.7
[M+NH4]+ 424.14225 207.8
[M+K]+ 445.07159 200.5
[M+H-H2O]+ 389.10569 186.9
[M+HCOO]- 451.10663 207.6
[M+CH3COO]- 465.12228 206.6
[M+Na-2H]- 427.08310 198.5
[M]+ 406.10788 200.7
[M]- 406.10898 200.7
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.