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 214.5
[M+Na]+ 456.17547 219.5
[M-H]- 432.17897 219.5
[M+NH4]+ 451.22007 219.4
[M+K]+ 472.14941 214.5
[M+H-H2O]+ 416.18351 198.6
[M+HCOO]- 478.18445 228.4
[M+CH3COO]- 492.20010 254.0
[M+Na-2H]- 454.16092 211.3
[M]+ 433.18570 206.5
[M]- 433.18680 206.5
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.