CID 3131195

303060-65-3

Structural Information

Molecular Formula
C24H16Cl2N2OS
SMILES
C1C2C3=C(C(=CC(=C3)Cl)Cl)OC(N2N=C1C4=CC5=CC=CC=C5C=C4)C6=CC=CS6
InChI
InChI=1S/C24H16Cl2N2OS/c25-17-11-18-21-13-20(16-8-7-14-4-1-2-5-15(14)10-16)27-28(21)24(22-6-3-9-30-22)29-23(18)19(26)12-17/h1-12,21,24H,13H2
InChIKey
QVOSOVBNUAPCNF-UHFFFAOYSA-N
Compound name
7,9-dichloro-2-naphthalen-2-yl-5-thiophen-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

450.03604 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.04332 205.5
[M+Na]+ 473.02526 219.1
[M-H]- 449.02876 216.4
[M+NH4]+ 468.06986 219.6
[M+K]+ 488.99920 211.4
[M+H-H2O]+ 433.03330 197.9
[M+HCOO]- 495.03424 209.8
[M+CH3COO]- 509.04989 215.6
[M+Na-2H]- 471.01071 203.7
[M]+ 450.03549 213.6
[M]- 450.03659 213.6
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.