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 179.6
[M+Na]+ 443.14516 182.7
[M-H]- 419.14866 182.8
[M+NH4]+ 438.18976 181.2
[M+K]+ 459.11910 180.7
[M+H-H2O]+ 403.15320 169.9
[M+HCOO]- 465.15414 181.7
[M+CH3COO]- 479.16979 257.5
[M+Na-2H]- 441.13061 175.4
[M]+ 420.15539 173.9
[M]- 420.15649 173.9
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.