CID 3121715

332060-30-7

Structural Information

Molecular Formula
C17H15ClN2O
SMILES
CC1N2C(CC(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4O1
InChI
InChI=1S/C17H15ClN2O/c1-11-20-16(14-4-2-3-5-17(14)21-11)10-15(19-20)12-6-8-13(18)9-7-12/h2-9,11,16H,10H2,1H3
InChIKey
HURVSIYNNVUDFM-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-5-methyl-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

298.08728 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.09456 169.1
[M+Na]+ 321.07650 179.6
[M-H]- 297.08000 175.4
[M+NH4]+ 316.12110 185.1
[M+K]+ 337.05044 173.7
[M+H-H2O]+ 281.08454 160.3
[M+HCOO]- 343.08548 181.6
[M+CH3COO]- 357.10113 180.6
[M+Na-2H]- 319.06195 173.1
[M]+ 298.08673 171.1
[M]- 298.08783 171.1
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.