CID 117068

2,3-bis(allylamino)-6-chloroquinoxaline

Structural Information

Molecular Formula
C14H15ClN4
SMILES
C=CCNC1=NC2=C(C=C(C=C2)Cl)N=C1NCC=C
InChI
InChI=1S/C14H15ClN4/c1-3-7-16-13-14(17-8-4-2)19-12-9-10(15)5-6-11(12)18-13/h3-6,9H,1-2,7-8H2,(H,16,18)(H,17,19)
InChIKey
HUTJATOGNDKJHS-UHFFFAOYSA-N
Compound name
6-chloro-2-N,3-N-bis(prop-2-enyl)quinoxaline-2,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

274.0985 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.10578 162.9
[M+Na]+ 297.08772 172.0
[M-H]- 273.09122 164.4
[M+NH4]+ 292.13232 178.1
[M+K]+ 313.06166 164.7
[M+H-H2O]+ 257.09576 154.9
[M+HCOO]- 319.09670 180.7
[M+CH3COO]- 333.11235 204.5
[M+Na-2H]- 295.07317 169.8
[M]+ 274.09795 164.7
[M]- 274.09905 164.7
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

patents stripe