CID 14512276

75113-56-3

Structural Information

Molecular Formula
C22H23N7O3
SMILES
CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2C#N)[N+](=O)[O-])C#N)NC(=O)C(C)C
InChI
InChI=1S/C22H23N7O3/c1-5-28(6-2)17-7-8-19(20(11-17)25-22(30)14(3)4)26-27-21-15(12-23)9-18(29(31)32)10-16(21)13-24/h7-11,14H,5-6H2,1-4H3,(H,25,30)
InChIKey
JCNOWJNWKGWDJE-UHFFFAOYSA-N
Compound name
N-[2-[(2,6-dicyano-4-nitrophenyl)diazenyl]-5-(diethylamino)phenyl]-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.18625 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.19353 217.9
[M+Na]+ 456.17547 224.6
[M+NH4]+ 451.22007 216.3
[M+K]+ 472.14941 215.4
[M-H]- 432.17897 210.9
[M+Na-2H]- 454.16092 215.7
[M]+ 433.18570 215.4
[M]- 433.18680 215.4
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.