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 185.9
[M+Na]+ 380.13696 194.3
[M-H]- 356.14046 193.8
[M+NH4]+ 375.18156 196.2
[M+K]+ 396.11090 188.5
[M+H-H2O]+ 340.14500 173.8
[M+HCOO]- 402.14594 201.2
[M+CH3COO]- 416.16159 195.4
[M+Na-2H]- 378.12241 189.6
[M]+ 357.14719 186.3
[M]- 357.14829 186.3
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

patents stripe