CID 482111

L667639

Structural Information

Molecular Formula
C34H28N6
SMILES
CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C=CC4=CC=CC=C43)N)C)N=NC5=C(C=CC6=CC=CC=C65)N
InChI
InChI=1S/C34H28N6/c1-21-19-25(13-17-31(21)37-39-33-27-9-5-3-7-23(27)11-15-29(33)35)26-14-18-32(22(2)20-26)38-40-34-28-10-6-4-8-24(28)12-16-30(34)36/h3-20H,35-36H2,1-2H3
InChIKey
SSBCZVAMCSVERN-UHFFFAOYSA-N
Compound name
1-[[4-[4-[(2-aminonaphthalen-1-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]naphthalen-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

520.23755 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.24483 230.7
[M+Na]+ 543.22677 238.5
[M-H]- 519.23027 248.4
[M+NH4]+ 538.27137 238.2
[M+K]+ 559.20071 231.2
[M+H-H2O]+ 503.23481 215.4
[M+HCOO]- 565.23575 260.4
[M+CH3COO]- 579.25140 239.1
[M+Na-2H]- 541.21222 237.0
[M]+ 520.23700 232.4
[M]- 520.23810 232.4
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.