CID 3407825

Sudan 408

Structural Information

Molecular Formula
C30H32N4O
SMILES
CCCCCCOC1=C(C2=CC=CC=C2C=C1)N=NC3=C(C=C(C=C3)N=NC4=CC=CC=C4C)C
InChI
InChI=1S/C30H32N4O/c1-4-5-6-11-20-35-29-19-16-24-13-8-9-14-26(24)30(29)34-33-28-18-17-25(21-23(28)3)31-32-27-15-10-7-12-22(27)2/h7-10,12-19,21H,4-6,11,20H2,1-3H3
InChIKey
IFCOQIZNZYKXKM-UHFFFAOYSA-N
Compound name
(2-hexoxynaphthalen-1-yl)-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]diazene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.2576 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.264876 219.3
[M+Na]+ 487.246818 224.5
[M-H]- 463.250324 233.7
[M+NH4]+ 482.291423 229.6
[M+K]+ 503.220758 219.0
[M+H-H2O]+ 447.254860 205.3
[M+HCOO]- 509.255801 248.9
[M+CH3COO]- 523.271451 257.4
[M+Na-2H]- 485.232266 223.9
[M]+ 464.25705142 225.6
[M]- 464.25814858 225.6
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.