CID 86283

107689-03-2

Structural Information

Molecular Formula
C25H34N8O
SMILES
CCCCN1C(=C(N=C1N=NC2=C(C=C(C=C2)N(CCCC)CCCC)NC(=O)C)C#N)C#N
InChI
InChI=1S/C25H34N8O/c1-5-8-13-32(14-9-6-2)20-11-12-21(22(16-20)28-19(4)34)30-31-25-29-23(17-26)24(18-27)33(25)15-10-7-3/h11-12,16H,5-10,13-15H2,1-4H3,(H,28,34)
InChIKey
IUCPKGKRKZUBOZ-UHFFFAOYSA-N
Compound name
N-[2-[(1-butyl-4,5-dicyanoimidazol-2-yl)diazenyl]-5-(dibutylamino)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

462.28555 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.29283 205.8
[M+Na]+ 485.27477 210.8
[M-H]- 461.27827 208.8
[M+NH4]+ 480.31937 210.3
[M+K]+ 501.24871 207.6
[M+H-H2O]+ 445.28281 185.2
[M+HCOO]- 507.28375 218.3
[M+CH3COO]- 521.29940 261.9
[M+Na-2H]- 483.26022 201.9
[M]+ 462.28500 201.1
[M]- 462.28610 201.1
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