CID 103092

65059-82-7

Structural Information

Molecular Formula
C23H22N8O
SMILES
CCN(CC1=CC=CC=C1)C2=CC(=C(C=C2)N=NC3=NC(=C(N3C)C#N)C#N)NC(=O)C
InChI
InChI=1S/C23H22N8O/c1-4-31(15-17-8-6-5-7-9-17)18-10-11-19(20(12-18)26-16(2)32)28-29-23-27-21(13-24)22(14-25)30(23)3/h5-12H,4,15H2,1-3H3,(H,26,32)
InChIKey
GTWNRNLEDHVBFL-UHFFFAOYSA-N
Compound name
N-[5-[benzyl(ethyl)amino]-2-[(4,5-dicyano-1-methylimidazol-2-yl)diazenyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.19165 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.19893 205.6
[M+Na]+ 449.18087 212.4
[M-H]- 425.18437 210.0
[M+NH4]+ 444.22547 210.3
[M+K]+ 465.15481 207.3
[M+H-H2O]+ 409.18891 184.6
[M+HCOO]- 471.18985 218.9
[M+CH3COO]- 485.20550 255.5
[M+Na-2H]- 447.16632 202.8
[M]+ 426.19110 198.5
[M]- 426.19220 198.5
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.