CID 4460426

303059-84-9

Structural Information

Molecular Formula
C23H20Cl2N2O
SMILES
CCCC1N2C(CC(=N2)C3=CC4=CC=CC=C4C=C3)C5=C(O1)C(=CC(=C5)Cl)Cl
InChI
InChI=1S/C23H20Cl2N2O/c1-2-5-22-27-21(18-11-17(24)12-19(25)23(18)28-22)13-20(26-27)16-9-8-14-6-3-4-7-15(14)10-16/h3-4,6-12,21-22H,2,5,13H2,1H3
InChIKey
CYGFBDPINSJTHV-UHFFFAOYSA-N
Compound name
7,9-dichloro-2-naphthalen-2-yl-5-propyl-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

410.09528 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.10256 200.1
[M+Na]+ 433.08450 211.0
[M-H]- 409.08800 206.0
[M+NH4]+ 428.12910 213.0
[M+K]+ 449.05844 202.7
[M+H-H2O]+ 393.09254 190.0
[M+HCOO]- 455.09348 204.8
[M+CH3COO]- 469.10913 209.0
[M+Na-2H]- 431.06995 200.7
[M]+ 410.09473 204.8
[M]- 410.09583 204.8
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.