CID 4551439

847243-07-6

Structural Information

Molecular Formula
C21H18N2O2S
SMILES
COC1=CC=CC=C1C2N3C(CC(=N3)C4=CC=CS4)C5=CC=CC=C5O2
InChI
InChI=1S/C21H18N2O2S/c1-24-18-9-4-3-8-15(18)21-23-17(14-7-2-5-10-19(14)25-21)13-16(22-23)20-11-6-12-26-20/h2-12,17,21H,13H2,1H3
InChIKey
OBQVWYLPVNCYNB-UHFFFAOYSA-N
Compound name
5-(2-methoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.1089 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.11618 182.0
[M+Na]+ 385.09812 197.8
[M+NH4]+ 380.14272 192.0
[M+K]+ 401.07206 190.7
[M-H]- 361.10162 190.0
[M+Na-2H]- 383.08357 189.4
[M]+ 362.10835 187.3
[M]- 362.10945 187.3
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

No patent data available for this compound.