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]+ 465.26488 219.3
[M+Na]+ 487.24682 224.5
[M-H]- 463.25032 233.7
[M+NH4]+ 482.29142 229.6
[M+K]+ 503.22076 219.0
[M+H-H2O]+ 447.25486 205.3
[M+HCOO]- 509.25580 248.9
[M+CH3COO]- 523.27145 257.4
[M+Na-2H]- 485.23227 223.9
[M]+ 464.25705 225.6
[M]- 464.25815 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.