CID 93715

Einecs 260-811-2

Structural Information

Molecular Formula
C17H18N8O
SMILES
CCN(CC)C1=CC(=C(C=C1)N=NC2=NC(=C(N2)C#N)C#N)NC(=O)C
InChI
InChI=1S/C17H18N8O/c1-4-25(5-2)12-6-7-13(14(8-12)20-11(3)26)23-24-17-21-15(9-18)16(10-19)22-17/h6-8H,4-5H2,1-3H3,(H,20,26)(H,21,22)
InChIKey
AMIQZHJEWZUYNL-UHFFFAOYSA-N
Compound name
N-[2-[(4,5-dicyano-1H-imidazol-2-yl)diazenyl]-5-(diethylamino)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.16037 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.16765 187.5
[M+Na]+ 373.14959 193.9
[M-H]- 349.15309 190.3
[M+NH4]+ 368.19419 194.2
[M+K]+ 389.12353 191.3
[M+H-H2O]+ 333.15763 167.7
[M+HCOO]- 395.15857 200.7
[M+CH3COO]- 409.17422 244.9
[M+Na-2H]- 371.13504 185.8
[M]+ 350.15982 179.6
[M]- 350.16092 179.6
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.