CID 166429

73528-78-6

Structural Information

Molecular Formula
C27H29Cl2N9O6
SMILES
CC1=C(C(=NC(=C1N=NC2=CC(=C(C=C2OC)N=NC3=C(C=C(C=C3Cl)[N+](=O)[O-])Cl)OC)NCCOC)NCCOC)C#N
InChI
InChI=1S/C27H29Cl2N9O6/c1-15-17(14-30)26(31-6-8-41-2)33-27(32-7-9-42-3)24(15)36-34-20-12-23(44-5)21(13-22(20)43-4)35-37-25-18(28)10-16(38(39)40)11-19(25)29/h10-13H,6-9H2,1-5H3,(H2,31,32,33)
InChIKey
ISWMXLOQKPDJJE-UHFFFAOYSA-N
Compound name
5-[[4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-2,5-dimethoxyphenyl]diazenyl]-2,6-bis(2-methoxyethylamino)-4-methylpyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

645.1618 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 646.16908 249.4
[M+Na]+ 668.15102 260.4
[M+NH4]+ 663.19562 249.2
[M+K]+ 684.12496 251.4
[M-H]- 644.15452 250.4
[M+Na-2H]- 666.13647 251.9
[M]+ 645.16125 250.6
[M]- 645.16235 250.6
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.