CID 3055874

73040-44-5

Structural Information

Molecular Formula
C22H14BrN3
SMILES
C1=CC=C(C=C1)N2C(=CC3=NC4=CC=CC=C4N=C32)C5=CC=C(C=C5)Br
InChI
InChI=1S/C22H14BrN3/c23-16-12-10-15(11-13-16)21-14-20-22(26(21)17-6-2-1-3-7-17)25-19-9-5-4-8-18(19)24-20/h1-14H
InChIKey
GIZIWYMSKYGJLK-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-1-phenylpyrrolo[3,2-b]quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.0371 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.04438 190.1
[M+Na]+ 422.02632 203.5
[M-H]- 398.02982 200.6
[M+NH4]+ 417.07092 204.4
[M+K]+ 438.00026 189.4
[M+H-H2O]+ 382.03436 186.6
[M+HCOO]- 444.03530 208.0
[M+CH3COO]- 458.05095 202.3
[M+Na-2H]- 420.01177 196.9
[M]+ 399.03655 209.8
[M]- 399.03765 209.8
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.