CID 3334826

302914-16-5

Structural Information

Molecular Formula
C23H17ClN2O3
SMILES
C1C2C3=CC=CC=C3OC(N2N=C1C4=CC=C(C=C4)Cl)C5=CC6=C(C=C5)OCO6
InChI
InChI=1S/C23H17ClN2O3/c24-16-8-5-14(6-9-16)18-12-19-17-3-1-2-4-20(17)29-23(26(19)25-18)15-7-10-21-22(11-15)28-13-27-21/h1-11,19,23H,12-13H2
InChIKey
ALAGMANZMPMQEH-UHFFFAOYSA-N
Compound name
5-(1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-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

404.09277 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.10005 194.1
[M+Na]+ 427.08199 204.1
[M-H]- 403.08549 205.6
[M+NH4]+ 422.12659 205.0
[M+K]+ 443.05593 200.1
[M+H-H2O]+ 387.09003 185.2
[M+HCOO]- 449.09097 203.1
[M+CH3COO]- 463.10662 204.2
[M+Na-2H]- 425.06744 194.4
[M]+ 404.09222 198.1
[M]- 404.09332 198.1
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.