CID 5271719

Schembl9706173

Structural Information

Molecular Formula
C19H20N4
SMILES
CC1=CC2=C(C=C1)N(C3=NC4=CC=CC=C4N=C23)CCN(C)C
InChI
InChI=1S/C19H20N4/c1-13-8-9-17-14(12-13)18-19(23(17)11-10-22(2)3)21-16-7-5-4-6-15(16)20-18/h4-9,12H,10-11H2,1-3H3
InChIKey
MPBRIXMSWIZWQZ-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(9-methylindolo[3,2-b]quinoxalin-6-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

304.1688 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.17608 174.1
[M+Na]+ 327.15802 185.9
[M-H]- 303.16152 178.8
[M+NH4]+ 322.20262 190.8
[M+K]+ 343.13196 179.7
[M+H-H2O]+ 287.16606 164.1
[M+HCOO]- 349.16700 195.5
[M+CH3COO]- 363.18265 186.1
[M+Na-2H]- 325.14347 181.6
[M]+ 304.16825 180.7
[M]- 304.16935 180.7
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