CID 166448

75125-56-3

Structural Information

Molecular Formula
C22H23N7O3
SMILES
CCCC(=O)NC1=C(C=CC(=C1)N(CC)CC)N=NC2=C(C=C(C=C2C#N)[N+](=O)[O-])C#N
InChI
InChI=1S/C22H23N7O3/c1-4-7-21(30)25-20-12-17(28(5-2)6-3)8-9-19(20)26-27-22-15(13-23)10-18(29(31)32)11-16(22)14-24/h8-12H,4-7H2,1-3H3,(H,25,30)
InChIKey
IYVJKFRNPLTKPN-UHFFFAOYSA-N
Compound name
N-[2-[(2,6-dicyano-4-nitrophenyl)diazenyl]-5-(diethylamino)phenyl]butanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

433.18625 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.19353 218.6
[M+Na]+ 456.17547 225.5
[M+NH4]+ 451.22007 217.1
[M+K]+ 472.14941 215.8
[M-H]- 432.17897 211.7
[M+Na-2H]- 454.16092 216.5
[M]+ 433.18570 216.2
[M]- 433.18680 216.2
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.