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]+ 258.12370 159.6
[M+Na]+ 280.10564 166.8
[M-H]- 256.10914 158.2
[M+NH4]+ 275.15024 171.9
[M+K]+ 296.07958 161.3
[M+H-H2O]+ 240.11368 145.0
[M+HCOO]- 302.11462 171.1
[M+CH3COO]- 316.13027 203.5
[M+Na-2H]- 278.09109 162.5
[M]+ 257.11587 151.6
[M]- 257.11697 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.