CID 154686

156243-39-9

Structural Information

Molecular Formula
C12H13N5
SMILES
CC1=NC2=C(C3=C(C=C2N=C1)N=C(N3C)N)C
InChI
InChI=1S/C12H13N5/c1-6-5-14-8-4-9-11(7(2)10(8)15-6)17(3)12(13)16-9/h4-5H,1-3H3,(H2,13,16)
InChIKey
ZSISUTCDDLFJLH-UHFFFAOYSA-N
Compound name
3,4,6-trimethylimidazo[4,5-g]quinoxalin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

3
Patents

227.1171 Da
Monoisotopic Mass

1.1
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