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]+ 411.102556 200.1
[M+Na]+ 433.084498 211.0
[M-H]- 409.088004 206.0
[M+NH4]+ 428.129103 213.0
[M+K]+ 449.058438 202.7
[M+H-H2O]+ 393.092540 190.0
[M+HCOO]- 455.093481 204.8
[M+CH3COO]- 469.109131 209.0
[M+Na-2H]- 431.069946 200.7
[M]+ 410.09473142 204.8
[M]- 410.09582858 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.