CID 3697734

9-chloro-2,5-bis(4-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

Structural Information

Molecular Formula
C24H21ClN2O3
SMILES
COC1=CC=C(C=C1)C2N3C(CC(=N3)C4=CC=C(C=C4)OC)C5=C(O2)C=CC(=C5)Cl
InChI
InChI=1S/C24H21ClN2O3/c1-28-18-8-3-15(4-9-18)21-14-22-20-13-17(25)7-12-23(20)30-24(27(22)26-21)16-5-10-19(29-2)11-6-16/h3-13,22,24H,14H2,1-2H3
InChIKey
UHOWCOKHCPMTAJ-UHFFFAOYSA-N
Compound name
9-chloro-2,5-bis(4-methoxyphenyl)-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

420.12408 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.13136 202.5
[M+Na]+ 443.11330 212.2
[M-H]- 419.11680 211.9
[M+NH4]+ 438.15790 213.0
[M+K]+ 459.08724 206.1
[M+H-H2O]+ 403.12134 191.4
[M+HCOO]- 465.12228 213.8
[M+CH3COO]- 479.13793 211.9
[M+Na-2H]- 441.09875 203.3
[M]+ 420.12353 207.7
[M]- 420.12463 207.7
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.