CID 73230796

Schembl1512635

Structural Information

Molecular Formula
C15H9N5O
SMILES
CCON=C1C2=CC=CC=C2C3=NC(=C(N=C31)C#N)C#N
InChI
InChI=1S/C15H9N5O/c1-2-21-20-14-10-6-4-3-5-9(10)13-15(14)19-12(8-17)11(7-16)18-13/h3-6H,2H2,1H3
InChIKey
VKVAJBRQGBRHIK-UHFFFAOYSA-N
Compound name
9-ethoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

275.08072 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.08800 169.9
[M+Na]+ 298.06994 181.6
[M-H]- 274.07344 171.8
[M+NH4]+ 293.11454 181.0
[M+K]+ 314.04388 173.7
[M+H-H2O]+ 258.07798 152.3
[M+HCOO]- 320.07892 181.4
[M+CH3COO]- 334.09457 176.4
[M+Na-2H]- 296.05539 172.1
[M]+ 275.08017 163.7
[M]- 275.08127 163.7
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