CID 135746

6-daeiq

Structural Information

Molecular Formula
C18H18N4
SMILES
CN(C)CCN1C2=CC=CC=C2C3=NC4=CC=CC=C4N=C31
InChI
InChI=1S/C18H18N4/c1-21(2)11-12-22-16-10-6-3-7-13(16)17-18(22)20-15-9-5-4-8-14(15)19-17/h3-10H,11-12H2,1-2H3
InChIKey
ASPCGJCAQYNHEN-UHFFFAOYSA-N
Compound name
2-indolo[3,2-b]quinoxalin-6-yl-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

4
Patents

290.15314 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.160416 168.3
[M+Na]+ 313.142358 179.8
[M-H]- 289.145864 172.9
[M+NH4]+ 308.186963 185.4
[M+K]+ 329.116298 173.7
[M+H-H2O]+ 273.150400 158.3
[M+HCOO]- 335.151341 190.1
[M+CH3COO]- 349.166991 180.5
[M+Na-2H]- 311.127806 177.3
[M]+ 290.15259142 174.2
[M]- 290.15368858 174.2
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