CID 60022116

137428-29-6

Structural Information

Molecular Formula
C24H22N8O4
SMILES
CC1=C(C(=NC(=C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)NCCOCCO)NC3=CC=CC=C3)C#N
InChI
InChI=1S/C24H22N8O4/c1-16-20(15-26)23(28-18-5-3-2-4-6-18)29-24(27-9-11-36-12-10-33)22(16)31-30-21-8-7-19(32(34)35)13-17(21)14-25/h2-8,13,33H,9-12H2,1H3,(H2,27,28,29)
InChIKey
VLNCDYQXFDOYFT-UHFFFAOYSA-N
Compound name
2-anilino-5-[(2-cyano-4-nitrophenyl)diazenyl]-6-[2-(2-hydroxyethoxy)ethylamino]-4-methylpyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

486.1764 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.18368 229.2
[M+Na]+ 509.16562 236.9
[M+NH4]+ 504.21022 227.2
[M+K]+ 525.13956 226.7
[M-H]- 485.16912 223.1
[M+Na-2H]- 507.15107 228.0
[M]+ 486.17585 227.1
[M]- 486.17695 227.1
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

patents stripe