CID 2834920

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

Structural Information

Molecular Formula
C23H19ClN2O2
SMILES
COC1=CC=C(C=C1)C2N3C(CC(=N3)C4=CC=C(C=C4)Cl)C5=CC=CC=C5O2
InChI
InChI=1S/C23H19ClN2O2/c1-27-18-12-8-16(9-13-18)23-26-21(19-4-2-3-5-22(19)28-23)14-20(25-26)15-6-10-17(24)11-7-15/h2-13,21,23H,14H2,1H3
InChIKey
ZWGDBUNMHUYOIW-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-5-(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

390.1135 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.12078 194.4
[M+Na]+ 413.10272 204.1
[M-H]- 389.10622 203.6
[M+NH4]+ 408.14732 206.0
[M+K]+ 429.07666 197.3
[M+H-H2O]+ 373.11076 183.4
[M+HCOO]- 435.11170 206.1
[M+CH3COO]- 449.12735 204.2
[M+Na-2H]- 411.08817 196.4
[M]+ 390.11295 197.6
[M]- 390.11405 197.6
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.