CID 162475

41608-81-5

Structural Information

Molecular Formula
C12H20N6O2
SMILES
C(CNCCNC(=O)CC#N)NCCNC(=O)CC#N
InChI
InChI=1S/C12H20N6O2/c13-3-1-11(19)17-9-7-15-5-6-16-8-10-18-12(20)2-4-14/h15-16H,1-2,5-10H2,(H,17,19)(H,18,20)
InChIKey
SGZSQQVTAZQBEJ-UHFFFAOYSA-N
Compound name
2-cyano-N-[2-[2-[2-[(2-cyanoacetyl)amino]ethylamino]ethylamino]ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

280.16476 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.17204 169.8
[M+Na]+ 303.15398 173.6
[M-H]- 279.15748 170.4
[M+NH4]+ 298.19858 178.7
[M+K]+ 319.12792 174.2
[M+H-H2O]+ 263.16202 153.3
[M+HCOO]- 325.16296 182.7
[M+CH3COO]- 339.17861 233.1
[M+Na-2H]- 301.13943 169.9
[M]+ 280.16421 161.4
[M]- 280.16531 161.4
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.