CID 3539698

303060-02-8

Structural Information

Molecular Formula
C26H19ClN2O
SMILES
C1C2C3=CC=CC=C3OC(N2N=C1C4=CC5=CC=CC=C5C=C4)C6=CC(=CC=C6)Cl
InChI
InChI=1S/C26H19ClN2O/c27-21-9-5-8-20(15-21)26-29-24(22-10-3-4-11-25(22)30-26)16-23(28-29)19-13-12-17-6-1-2-7-18(17)14-19/h1-15,24,26H,16H2
InChIKey
GAEHUSRNWGAWOS-UHFFFAOYSA-N
Compound name
5-(3-chlorophenyl)-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

410.1186 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.12588 200.0
[M+Na]+ 433.10782 209.5
[M-H]- 409.11132 209.5
[M+NH4]+ 428.15242 211.2
[M+K]+ 449.08176 201.0
[M+H-H2O]+ 393.11586 187.8
[M+HCOO]- 455.11680 209.8
[M+CH3COO]- 469.13245 208.8
[M+Na-2H]- 431.09327 202.4
[M]+ 410.11805 201.2
[M]- 410.11915 201.2
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.