CID 294570

9-methylacenaphtho(1,2-b)-quinoxaline

Structural Information

Molecular Formula
C19H12N2
SMILES
CC1=CC2=C(C=C1)N=C3C4=CC=CC5=C4C(=CC=C5)C3=N2
InChI
InChI=1S/C19H12N2/c1-11-8-9-15-16(10-11)21-19-14-7-3-5-12-4-2-6-13(17(12)14)18(19)20-15/h2-10H,1H3
InChIKey
FEBHQCJWEFRRBQ-UHFFFAOYSA-N
Compound name
9-methylacenaphthyleno[1,2-b]quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

268.10004 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.10732 161.2
[M+Na]+ 291.08926 174.0
[M-H]- 267.09276 166.3
[M+NH4]+ 286.13386 181.3
[M+K]+ 307.06320 166.2
[M+H-H2O]+ 251.09730 152.0
[M+HCOO]- 313.09824 180.7
[M+CH3COO]- 327.11389 174.0
[M+Na-2H]- 289.07471 170.8
[M]+ 268.09949 165.7
[M]- 268.10059 165.7
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

patents stripe