CID 3085731

72152-87-5

Structural Information

Molecular Formula
C25H24N6O2
SMILES
CC(=O)OCCN(CCC#N)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=NC3=CC=CC=C3
InChI
InChI=1S/C25H24N6O2/c1-20(32)33-19-18-31(17-5-16-26)25-14-12-24(13-15-25)30-29-23-10-8-22(9-11-23)28-27-21-6-3-2-4-7-21/h2-4,6-15H,5,17-19H2,1H3
InChIKey
WNBHRMPDBCZARC-UHFFFAOYSA-N
Compound name
2-[N-(2-cyanoethyl)-4-[(4-phenyldiazenylphenyl)diazenyl]anilino]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.19608 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.20336 217.6
[M+Na]+ 463.18530 228.4
[M+NH4]+ 458.22990 220.4
[M+K]+ 479.15924 215.8
[M-H]- 439.18880 218.9
[M+Na-2H]- 461.17075 224.4
[M]+ 440.19553 218.5
[M]- 440.19663 218.5
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.