CID 4431960

303061-38-3

Structural Information

Molecular Formula
C23H17Cl3N2O2
SMILES
COC1=CC=C(C=C1)C2=NN3C(C2)C4=C(C(=CC(=C4)Cl)Cl)OC3C5=CC=C(C=C5)Cl
InChI
InChI=1S/C23H17Cl3N2O2/c1-29-17-8-4-13(5-9-17)20-12-21-18-10-16(25)11-19(26)22(18)30-23(28(21)27-20)14-2-6-15(24)7-3-14/h2-11,21,23H,12H2,1H3
InChIKey
NTZGJENPMRLERW-UHFFFAOYSA-N
Compound name
7,9-dichloro-5-(4-chlorophenyl)-2-(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

458.03555 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.04283 207.7
[M+Na]+ 481.02477 219.0
[M-H]- 457.02827 214.9
[M+NH4]+ 476.06937 217.6
[M+K]+ 496.99871 211.8
[M+H-H2O]+ 441.03281 197.3
[M+HCOO]- 503.03375 208.7
[M+CH3COO]- 517.04940 215.9
[M+Na-2H]- 479.01022 206.2
[M]+ 458.03500 213.5
[M]- 458.03610 213.5
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.