CID 3073499

149685-89-2

Structural Information

Molecular Formula
C16H17N5
SMILES
C=CCN1CCN(CC1)C2=NC3=CC=CC=C3N=C2C#N
InChI
InChI=1S/C16H17N5/c1-2-7-20-8-10-21(11-9-20)16-15(12-17)18-13-5-3-4-6-14(13)19-16/h2-6H,1,7-11H2
InChIKey
IDOXKFDPDOIUMG-UHFFFAOYSA-N
Compound name
3-(4-prop-2-enylpiperazin-1-yl)quinoxaline-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

41
Patents

279.1484 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.15568 163.9
[M+Na]+ 302.13762 172.5
[M-H]- 278.14112 162.9
[M+NH4]+ 297.18222 173.1
[M+K]+ 318.11156 164.5
[M+H-H2O]+ 262.14566 145.9
[M+HCOO]- 324.14660 174.3
[M+CH3COO]- 338.16225 171.2
[M+Na-2H]- 300.12307 168.0
[M]+ 279.14785 155.0
[M]- 279.14895 155.0
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