CID 494194

500890-86-8

Structural Information

Molecular Formula
C17H15N3
SMILES
CC1=CC2=C(C=C1C)N=C3C(=N2)C4=CC=CC=C4N3C
InChI
InChI=1S/C17H15N3/c1-10-8-13-14(9-11(10)2)19-17-16(18-13)12-6-4-5-7-15(12)20(17)3/h4-9H,1-3H3
InChIKey
VMXMJGMFZPGGAC-UHFFFAOYSA-N
Compound name
2,3,6-trimethylindolo[3,2-b]quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

261.1266 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.13388 162.2
[M+Na]+ 284.11582 176.8
[M-H]- 260.11932 166.4
[M+NH4]+ 279.16042 180.8
[M+K]+ 300.08976 169.6
[M+H-H2O]+ 244.12386 153.3
[M+HCOO]- 306.12480 182.8
[M+CH3COO]- 320.14045 175.5
[M+Na-2H]- 282.10127 170.0
[M]+ 261.12605 168.0
[M]- 261.12715 168.0
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.