CID 911015

301358-46-3

Structural Information

Molecular Formula
C17H12N6
SMILES
C1=CC=C2C(=C1)N=C3C(=C(N(C3=N2)C4=CC=C(C=C4)N)N)C#N
InChI
InChI=1S/C17H12N6/c18-9-12-15-17(22-14-4-2-1-3-13(14)21-15)23(16(12)20)11-7-5-10(19)6-8-11/h1-8H,19-20H2
InChIKey
UPPPLIFDTZWWPA-UHFFFAOYSA-N
Compound name
2-amino-1-(4-aminophenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3
Patents

300.11234 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.119616 175.0
[M+Na]+ 323.101558 188.1
[M-H]- 299.105064 177.3
[M+NH4]+ 318.146163 186.9
[M+K]+ 339.075498 178.2
[M+H-H2O]+ 283.109600 158.4
[M+HCOO]- 345.110541 192.2
[M+CH3COO]- 359.126191 184.0
[M+Na-2H]- 321.087006 179.5
[M]+ 300.11179142 169.2
[M]- 300.11288858 169.2
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