CID 9570160

F 2325

Structural Information

Molecular Formula
C22H16N10
SMILES
C/C(=N\N=C(\C1=CC=C(C=C1)N=NC(C#N)C#N)/C)/C2=CC=C(C=C2)N=NC(C#N)C#N
InChI
InChI=1S/C22H16N10/c1-15(17-3-7-19(8-4-17)29-31-21(11-23)12-24)27-28-16(2)18-5-9-20(10-6-18)30-32-22(13-25)14-26/h3-10,21-22H,1-2H3/b27-15+,28-16+,31-29?,32-30?
InChIKey
QJLHJXVUXSRREK-IBBPDUAISA-N
Compound name
2-[[4-[(E)-N-[(E)-1-[4-(dicyanomethyldiazenyl)phenyl]ethylideneamino]-C-methylcarbonimidoyl]phenyl]diazenyl]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.15594 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.16322 219.9
[M+Na]+ 443.14516 221.3
[M+NH4]+ 438.18976 217.9
[M+K]+ 459.11910 214.7
[M-H]- 419.14866 215.0
[M+Na-2H]- 441.13061 215.6
[M]+ 420.15539 218.1
[M]- 420.15649 218.1
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

No patent data available for this compound.