CID 3121893

303061-17-8

Structural Information

Molecular Formula
C24H21ClN2O2
SMILES
CC1=CC=C(C=C1)C2N3C(CC(=N3)C4=CC=C(C=C4)OC)C5=C(O2)C=CC(=C5)Cl
InChI
InChI=1S/C24H21ClN2O2/c1-15-3-5-17(6-4-15)24-27-22(20-13-18(25)9-12-23(20)29-24)14-21(26-27)16-7-10-19(28-2)11-8-16/h3-13,22,24H,14H2,1-2H3
InChIKey
NBABRPBLANKHGQ-UHFFFAOYSA-N
Compound name
9-chloro-2-(4-methoxyphenyl)-5-(4-methylphenyl)-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

404.12915 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.13643 200.1
[M+Na]+ 427.11837 210.1
[M-H]- 403.12187 209.4
[M+NH4]+ 422.16297 211.3
[M+K]+ 443.09231 203.2
[M+H-H2O]+ 387.12641 189.1
[M+HCOO]- 449.12735 211.3
[M+CH3COO]- 463.14300 209.6
[M+Na-2H]- 425.10382 200.7
[M]+ 404.12860 203.9
[M]- 404.12970 203.9
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.