CID 6453331

2-naphthalenamine, n-(2-ethylhexyl)-1-((2-methyl-4-((2-methylphenyl)azo)phenyl)azo)-

Structural Information

Molecular Formula
C32H39N5
SMILES
CCCCC(CC)CNC1(C=CCC2=CC=CC=C21)N=NC3=C(C=C(C=C3)N=NC4=CC=CC=C4C)C
InChI
InChI=1S/C32H39N5/c1-5-7-14-26(6-2)23-33-32(21-12-16-27-15-9-10-17-29(27)32)37-36-31-20-19-28(22-25(31)4)34-35-30-18-11-8-13-24(30)3/h8-13,15,17-22,26,33H,5-7,14,16,23H2,1-4H3
InChIKey
ZLVBRIMUCPVJIT-UHFFFAOYSA-N
Compound name
N-(2-ethylhexyl)-1-[[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]diazenyl]-4H-naphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

493.32056 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.32784 225.5
[M+Na]+ 516.30978 228.1
[M-H]- 492.31328 238.9
[M+NH4]+ 511.35438 235.9
[M+K]+ 532.28372 222.8
[M+H-H2O]+ 476.31782 211.5
[M+HCOO]- 538.31876 253.0
[M+CH3COO]- 552.33441 265.5
[M+Na-2H]- 514.29523 229.6
[M]+ 493.32001 228.5
[M]- 493.32111 228.5
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.