CID 3131190

303059-71-4

Structural Information

Molecular Formula
C24H17BrN2OS
SMILES
C1C2C3=C(C=CC(=C3)Br)OC(N2N=C1C4=CC5=CC=CC=C5C=C4)C6=CC=CS6
InChI
InChI=1S/C24H17BrN2OS/c25-18-9-10-22-19(13-18)21-14-20(17-8-7-15-4-1-2-5-16(15)12-17)26-27(21)24(28-22)23-6-3-11-29-23/h1-13,21,24H,14H2
InChIKey
WCZGWZLADYMLCP-UHFFFAOYSA-N
Compound name
9-bromo-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

460.0245 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.03178 197.7
[M+Na]+ 483.01372 212.0
[M-H]- 459.01722 211.6
[M+NH4]+ 478.05832 214.0
[M+K]+ 498.98766 200.5
[M+H-H2O]+ 443.02176 198.0
[M+HCOO]- 505.02270 210.3
[M+CH3COO]- 519.03835 210.4
[M+Na-2H]- 480.99917 199.5
[M]+ 460.02395 220.0
[M]- 460.02505 220.0
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.