CID 3308473

303060-12-0

Structural Information

Molecular Formula
C26H19BrN2O
SMILES
C1C2C3=C(C=CC(=C3)Br)OC(N2N=C1C4=CC5=CC=CC=C5C=C4)C6=CC=CC=C6
InChI
InChI=1S/C26H19BrN2O/c27-21-12-13-25-22(15-21)24-16-23(20-11-10-17-6-4-5-9-19(17)14-20)28-29(24)26(30-25)18-7-2-1-3-8-18/h1-15,24,26H,16H2
InChIKey
WPYSAYANMIHQSO-UHFFFAOYSA-N
Compound name
9-bromo-2-naphthalen-2-yl-5-phenyl-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

454.06808 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.07536 208.4
[M+Na]+ 477.05730 218.8
[M-H]- 453.06080 220.2
[M+NH4]+ 472.10190 221.0
[M+K]+ 493.03124 206.5
[M+H-H2O]+ 437.06534 204.4
[M+HCOO]- 499.06628 220.9
[M+CH3COO]- 513.08193 218.5
[M+Na-2H]- 475.04275 211.5
[M]+ 454.06753 225.3
[M]- 454.06863 225.3
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.