CID 3034581

I3rk939alc

Structural Information

Molecular Formula
C14H15N3O2
SMILES
CCOC(=O)/C(=C/N1CCNC2=CC=CC=C21)/C#N
InChI
InChI=1S/C14H15N3O2/c1-2-19-14(18)11(9-15)10-17-8-7-16-12-5-3-4-6-13(12)17/h3-6,10,16H,2,7-8H2,1H3/b11-10+
InChIKey
BMVPZMMXQCAFDS-ZHACJKMWSA-N
Compound name
ethyl (E)-2-cyano-3-(3,4-dihydro-2H-quinoxalin-1-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.11642 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.123696 159.6
[M+Na]+ 280.105638 166.8
[M-H]- 256.109144 158.2
[M+NH4]+ 275.150243 171.9
[M+K]+ 296.079578 161.3
[M+H-H2O]+ 240.113680 145.0
[M+HCOO]- 302.114621 171.1
[M+CH3COO]- 316.130271 203.5
[M+Na-2H]- 278.091086 162.5
[M]+ 257.11587142 151.6
[M]- 257.11696858 151.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.