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]+ 358.155016 185.9
[M+Na]+ 380.136958 194.3
[M-H]- 356.140464 193.8
[M+NH4]+ 375.181563 196.2
[M+K]+ 396.110898 188.5
[M+H-H2O]+ 340.145000 173.8
[M+HCOO]- 402.145941 201.2
[M+CH3COO]- 416.161591 195.4
[M+Na-2H]- 378.122406 189.6
[M]+ 357.14719142 186.3
[M]- 357.14828858 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