CID 555190

2,5-diphenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

Structural Information

Molecular Formula
C22H18N2O
SMILES
C1C2C3=CC=CC=C3OC(N2N=C1C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C22H18N2O/c1-3-9-16(10-4-1)19-15-20-18-13-7-8-14-21(18)25-22(24(20)23-19)17-11-5-2-6-12-17/h1-14,20,22H,15H2
InChIKey
GWMCPCJSFNYUTI-UHFFFAOYSA-N
Compound name
2,5-diphenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

326.1419 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.149176 177.0
[M+Na]+ 349.131118 184.8
[M-H]- 325.134624 186.0
[M+NH4]+ 344.175723 189.9
[M+K]+ 365.105058 178.7
[M+H-H2O]+ 309.139160 166.0
[M+HCOO]- 371.140101 193.7
[M+CH3COO]- 385.155751 187.3
[M+Na-2H]- 347.116566 181.6
[M]+ 326.14135142 175.3
[M]- 326.14244858 175.3
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

patents stripe