CID 250447

Nsc69933

Structural Information

Molecular Formula
C24H24N6O2
SMILES
C1=CC=C2C(=C1)N=CC(=N2)C(=O)NCCCCCCNC(=O)C3=NC4=CC=CC=C4N=C3
InChI
InChI=1S/C24H24N6O2/c31-23(21-15-27-17-9-3-5-11-19(17)29-21)25-13-7-1-2-8-14-26-24(32)22-16-28-18-10-4-6-12-20(18)30-22/h3-6,9-12,15-16H,1-2,7-8,13-14H2,(H,25,31)(H,26,32)
InChIKey
XODRBHRYKIYZSQ-UHFFFAOYSA-N
Compound name
N-[6-(quinoxaline-2-carbonylamino)hexyl]quinoxaline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.19608 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.20336 201.9
[M+Na]+ 451.18530 207.2
[M-H]- 427.18880 204.1
[M+NH4]+ 446.22990 206.5
[M+K]+ 467.15924 199.7
[M+H-H2O]+ 411.19334 188.6
[M+HCOO]- 473.19428 218.7
[M+CH3COO]- 487.20993 208.3
[M+Na-2H]- 449.17075 210.4
[M]+ 428.19553 204.2
[M]- 428.19663 204.2
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.