CID 118685

34446-26-9

Structural Information

Molecular Formula
C27H26N6O2
SMILES
CCN(CC)C1=CC(=C(C=C1)N=NC2=CC=C(C3=CC=CC=C32)N=NC4=CC=C(C=C4)[N+](=O)[O-])C
InChI
InChI=1S/C27H26N6O2/c1-4-32(5-2)22-14-15-25(19(3)18-22)29-31-27-17-16-26(23-8-6-7-9-24(23)27)30-28-20-10-12-21(13-11-20)33(34)35/h6-18H,4-5H2,1-3H3
InChIKey
DZQBPRXAQZNPHZ-UHFFFAOYSA-N
Compound name
N,N-diethyl-3-methyl-4-[[4-[(4-nitrophenyl)diazenyl]naphthalen-1-yl]diazenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.21173 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.21901 214.1
[M+Na]+ 489.20095 217.1
[M-H]- 465.20445 229.6
[M+NH4]+ 484.24555 222.9
[M+K]+ 505.17489 210.0
[M+H-H2O]+ 449.20899 204.2
[M+HCOO]- 511.20993 246.2
[M+CH3COO]- 525.22558 256.0
[M+Na-2H]- 487.18640 221.7
[M]+ 466.21118 217.0
[M]- 466.21228 217.0
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.