CID 4993219

303060-04-0

Structural Information

Molecular Formula
C27H22N2O2
SMILES
COC1=CC=C(C=C1)C2N3C(CC(=N3)C4=CC5=CC=CC=C5C=C4)C6=CC=CC=C6O2
InChI
InChI=1S/C27H22N2O2/c1-30-22-14-12-19(13-15-22)27-29-25(23-8-4-5-9-26(23)31-27)17-24(28-29)21-11-10-18-6-2-3-7-20(18)16-21/h2-16,25,27H,17H2,1H3
InChIKey
UZMDSMZHXIQDKE-UHFFFAOYSA-N
Compound name
5-(4-methoxyphenyl)-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

406.16812 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.17540 199.4
[M+Na]+ 429.15734 207.4
[M-H]- 405.16084 209.2
[M+NH4]+ 424.20194 209.8
[M+K]+ 445.13128 200.6
[M+H-H2O]+ 389.16538 186.9
[M+HCOO]- 451.16632 213.6
[M+CH3COO]- 465.18197 208.1
[M+Na-2H]- 427.14279 202.1
[M]+ 406.16757 199.7
[M]- 406.16867 199.7
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.