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 229.6
[M+Na]+ 559.05612 228.8
[M-H]- 535.05962 231.0
[M+NH4]+ 554.10072 233.4
[M+K]+ 575.03006 228.7
[M+H-H2O]+ 519.06416 213.2
[M+HCOO]- 581.06510 248.4
[M+CH3COO]- 595.08075 252.1
[M+Na-2H]- 557.04157 218.6
[M]+ 536.06635 224.8
[M]- 536.06745 224.8
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