CID 3121876

303061-29-2

Structural Information

Molecular Formula
C19H19ClN2O2
SMILES
CC1(N2C(CC(=N2)C3=CC=C(C=C3)OC)C4=C(O1)C=CC(=C4)Cl)C
InChI
InChI=1S/C19H19ClN2O2/c1-19(2)22-17(15-10-13(20)6-9-18(15)24-19)11-16(21-22)12-4-7-14(23-3)8-5-12/h4-10,17H,11H2,1-3H3
InChIKey
AVNPJAYPXXRCFB-UHFFFAOYSA-N
Compound name
9-chloro-2-(4-methoxyphenyl)-5,5-dimethyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

342.1135 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.120776 180.8
[M+Na]+ 365.102718 192.2
[M-H]- 341.106224 187.6
[M+NH4]+ 360.147323 197.3
[M+K]+ 381.076658 186.8
[M+H-H2O]+ 325.110760 171.9
[M+HCOO]- 387.111701 192.9
[M+CH3COO]- 401.127351 192.1
[M+Na-2H]- 363.088166 184.3
[M]+ 342.11295142 185.7
[M]- 342.11404858 185.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.