CID 109792

Dianix blue kb-fs

Structural Information

Molecular Formula
C20H21IN6O4
SMILES
CCN(CC)C1=C(C=C(C(=C1)NC(=O)C)N=NC2=C(C=C(C=C2I)[N+](=O)[O-])C#N)OC
InChI
InChI=1S/C20H21IN6O4/c1-5-26(6-2)18-9-16(23-12(3)28)17(10-19(18)31-4)24-25-20-13(11-22)7-14(27(29)30)8-15(20)21/h7-10H,5-6H2,1-4H3,(H,23,28)
InChIKey
IZORMMLJZNGANB-UHFFFAOYSA-N
Compound name
N-[2-[(2-cyano-6-iodo-4-nitrophenyl)diazenyl]-5-(diethylamino)-4-methoxyphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

536.0669 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.07418 226.6
[M+Na]+ 559.05612 229.4
[M+NH4]+ 554.10072 224.2
[M+K]+ 575.03006 224.5
[M-H]- 535.05962 220.0
[M+Na-2H]- 557.04157 216.6
[M]+ 536.06635 223.1
[M]- 536.06745 223.1
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

patents stripe