CID 3121729

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

Structural Information

Molecular Formula
C23H19ClN2O
SMILES
CC1=CC=C(C=C1)C2N3C(CC(=N3)C4=CC=C(C=C4)Cl)C5=CC=CC=C5O2
InChI
InChI=1S/C23H19ClN2O/c1-15-6-8-17(9-7-15)23-26-21(19-4-2-3-5-22(19)27-23)14-20(25-26)16-10-12-18(24)13-11-16/h2-13,21,23H,14H2,1H3
InChIKey
UBVXHUKPVXAOFV-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-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

374.1186 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.12588 191.8
[M+Na]+ 397.10782 201.7
[M-H]- 373.11132 200.9
[M+NH4]+ 392.15242 204.2
[M+K]+ 413.08176 194.2
[M+H-H2O]+ 357.11586 180.9
[M+HCOO]- 419.11680 203.3
[M+CH3COO]- 433.13245 201.7
[M+Na-2H]- 395.09327 193.6
[M]+ 374.11805 193.6
[M]- 374.11915 193.6
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.