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]+ 327.14918 177.0
[M+Na]+ 349.13112 184.8
[M-H]- 325.13462 186.0
[M+NH4]+ 344.17572 189.9
[M+K]+ 365.10506 178.7
[M+H-H2O]+ 309.13916 166.0
[M+HCOO]- 371.14010 193.7
[M+CH3COO]- 385.15575 187.3
[M+Na-2H]- 347.11657 181.6
[M]+ 326.14135 175.3
[M]- 326.14245 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