CID 3157036

303060-83-5

Structural Information

Molecular Formula
C22H19N3O2
SMILES
COC1=CC=C(C=C1)C2=NN3C(C2)C4=CC=CC=C4OC3C5=CC=NC=C5
InChI
InChI=1S/C22H19N3O2/c1-26-17-8-6-15(7-9-17)19-14-20-18-4-2-3-5-21(18)27-22(25(20)24-19)16-10-12-23-13-11-16/h2-13,20,22H,14H2,1H3
InChIKey
CTUNHYNKPYSYGP-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-5-pyridin-4-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

357.14774 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.15502 186.5
[M+Na]+ 380.13696 204.1
[M+NH4]+ 375.18156 195.3
[M+K]+ 396.11090 196.6
[M-H]- 356.14046 194.3
[M+Na-2H]- 378.12241 195.2
[M]+ 357.14719 191.5
[M]- 357.14829 191.5
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

patents stripe