CID 3131193

303060-51-7

Structural Information

Molecular Formula
C25H19N3O
SMILES
C1C2C3=CC=CC=C3OC(N2N=C1C4=CC5=CC=CC=C5C=C4)C6=CC=NC=C6
InChI
InChI=1S/C25H19N3O/c1-2-6-19-15-20(10-9-17(19)5-1)22-16-23-21-7-3-4-8-24(21)29-25(28(23)27-22)18-11-13-26-14-12-18/h1-15,23,25H,16H2
InChIKey
GMMXTGPWIQNKIJ-UHFFFAOYSA-N
Compound name
2-naphthalen-2-yl-5-pyridin-4-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

377.1528 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.16008 190.7
[M+Na]+ 400.14202 199.1
[M-H]- 376.14552 199.1
[M+NH4]+ 395.18662 200.7
[M+K]+ 416.11596 191.4
[M+H-H2O]+ 360.15006 177.7
[M+HCOO]- 422.15100 204.2
[M+CH3COO]- 436.16665 199.5
[M+Na-2H]- 398.12747 195.0
[M]+ 377.15225 189.2
[M]- 377.15335 189.2
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.