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 196.6
[M+Na]+ 413.16244 204.9
[M-H]- 389.16594 206.4
[M+NH4]+ 408.20704 207.8
[M+K]+ 429.13638 197.3
[M+H-H2O]+ 373.17048 184.3
[M+HCOO]- 435.17142 210.7
[M+CH3COO]- 449.18707 205.5
[M+Na-2H]- 411.14789 199.1
[M]+ 390.17267 195.5
[M]- 390.17377 195.5
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.