CID 16212227

Sudan iv-d6

Structural Information

Molecular Formula
C24H20N4O
SMILES
[2H]C1=C(C(=C\2C(=C1[2H])C(=C(C(=O)/C2=N/NC3=C(C=C(C=C3)N=NC4=CC=CC=C4C)C)[2H])[2H])[2H])[2H]
InChI
InChI=1S/C24H20N4O/c1-16-7-3-6-10-21(16)26-25-19-12-13-22(17(2)15-19)27-28-24-20-9-5-4-8-18(20)11-14-23(24)29/h3-15,27H,1-2H3/b26-25?,28-24+/i4D,5D,8D,9D,11D,14D
InChIKey
KMDLOETUWUPGMB-HKFNDDFESA-N
Compound name
(1E)-3,4,5,6,7,8-hexadeuterio-1-[[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]hydrazinylidene]naphthalen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.2014 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.20868 212.0
[M+Na]+ 409.19062 229.1
[M+NH4]+ 404.23522 220.6
[M+K]+ 425.16456 216.7
[M-H]- 385.19412 223.0
[M+Na-2H]- 407.17607 221.5
[M]+ 386.20085 217.8
[M]- 386.20195 217.8
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

No patent data available for this compound.