CID 3055872

Brn 0553716

Structural Information

Molecular Formula
C23H17N3
SMILES
CC1=CC=C(C=C1)C2=CC3=NC4=CC=CC=C4N=C3N2C5=CC=CC=C5
InChI
InChI=1S/C23H17N3/c1-16-11-13-17(14-12-16)22-15-21-23(26(22)18-7-3-2-4-8-18)25-20-10-6-5-9-19(20)24-21/h2-15H,1H3
InChIKey
CYJRWWWZIWEMNJ-UHFFFAOYSA-N
Compound name
2-(4-methylphenyl)-1-phenylpyrrolo[3,2-b]quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.14224 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.14952 182.6
[M+Na]+ 358.13146 193.8
[M-H]- 334.13496 190.9
[M+NH4]+ 353.17606 195.5
[M+K]+ 374.10540 184.8
[M+H-H2O]+ 318.13950 170.8
[M+HCOO]- 380.14044 202.3
[M+CH3COO]- 394.15609 193.5
[M+Na-2H]- 356.11691 188.5
[M]+ 335.14169 184.3
[M]- 335.14279 184.3
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.