CID 375025

Nsc653851

Structural Information

Molecular Formula
C15H8N4
SMILES
C1=CC=C2C(=C1)N=C3C(=C4C=CC=CN4C3=N2)C#N
InChI
InChI=1S/C15H8N4/c16-9-10-13-7-3-4-8-19(13)15-14(10)17-11-5-1-2-6-12(11)18-15/h1-8H
InChIKey
JKTDGGGCBWROBV-UHFFFAOYSA-N
Compound name
indolizino[2,3-b]quinoxaline-12-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

244.07489 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.08217 157.1
[M+Na]+ 267.06411 172.4
[M-H]- 243.06761 158.4
[M+NH4]+ 262.10871 173.1
[M+K]+ 283.03805 162.1
[M+H-H2O]+ 227.07215 141.3
[M+HCOO]- 289.07309 174.4
[M+CH3COO]- 303.08874 168.2
[M+Na-2H]- 265.04956 166.0
[M]+ 244.07434 155.3
[M]- 244.07544 155.3
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