CID 104739

2-amino-3,4,8-trimethyl-3h-imidazo[4,5-f]quinoxaline

Structural Information

Molecular Formula
C12H13N5
SMILES
CC1=CC2=NC=C(N=C2C3=C1N(C(=N3)N)C)C
InChI
InChI=1S/C12H13N5/c1-6-4-8-9(15-7(2)5-14-8)10-11(6)17(3)12(13)16-10/h4-5H,1-3H3,(H2,13,16)
InChIKey
LAZSIJHHPMHKQI-UHFFFAOYSA-N
Compound name
3,4,8-trimethylimidazo[4,5-f]quinoxalin-2-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

97
References

71
Patents

227.1171 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.12438 153.6
[M+Na]+ 250.10632 167.5
[M-H]- 226.10982 155.1
[M+NH4]+ 245.15092 170.9
[M+K]+ 266.08026 161.8
[M+H-H2O]+ 210.11436 145.2
[M+HCOO]- 272.11530 174.0
[M+CH3COO]- 286.13095 166.5
[M+Na-2H]- 248.09177 160.1
[M]+ 227.11655 156.7
[M]- 227.11765 156.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe