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]+ 343.12078 180.8
[M+Na]+ 365.10272 192.2
[M-H]- 341.10622 187.6
[M+NH4]+ 360.14732 197.3
[M+K]+ 381.07666 186.8
[M+H-H2O]+ 325.11076 171.9
[M+HCOO]- 387.11170 192.9
[M+CH3COO]- 401.12735 192.1
[M+Na-2H]- 363.08817 184.3
[M]+ 342.11295 185.7
[M]- 342.11405 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.