CID 4993218

303060-03-9

Structural Information

Molecular Formula
C27H22N2O
SMILES
CC1=CC=C(C=C1)C2N3C(CC(=N3)C4=CC5=CC=CC=C5C=C4)C6=CC=CC=C6O2
InChI
InChI=1S/C27H22N2O/c1-18-10-12-20(13-11-18)27-29-25(23-8-4-5-9-26(23)30-27)17-24(28-29)22-15-14-19-6-2-3-7-21(19)16-22/h2-16,25,27H,17H2,1H3
InChIKey
QDQIMBMMYZDFDX-UHFFFAOYSA-N
Compound name
5-(4-methylphenyl)-2-naphthalen-2-yl-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

390.17322 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.18050 197.8
[M+Na]+ 413.16244 217.3
[M+NH4]+ 408.20704 208.4
[M+K]+ 429.13638 207.4
[M-H]- 389.16594 207.9
[M+Na-2H]- 411.14789 206.8
[M]+ 390.17267 204.0
[M]- 390.17377 204.0
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.