CID 92545

Einecs 260-401-3

Structural Information

Molecular Formula
C20H23N7O2
SMILES
CC1=C(C(=NC(=C1N=NC2=CC=CC=C2C#N)NCCOC)NCCOC)C#N
InChI
InChI=1S/C20H23N7O2/c1-14-16(13-22)19(23-8-10-28-2)25-20(24-9-11-29-3)18(14)27-26-17-7-5-4-6-15(17)12-21/h4-7H,8-11H2,1-3H3,(H2,23,24,25)
InChIKey
SEQWUAQJBYUKJI-UHFFFAOYSA-N
Compound name
5-[(2-cyanophenyl)diazenyl]-2,6-bis(2-methoxyethylamino)-4-methylpyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

393.1913 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.19858 191.8
[M+Na]+ 416.18052 198.7
[M-H]- 392.18402 195.6
[M+NH4]+ 411.22512 197.6
[M+K]+ 432.15446 195.7
[M+H-H2O]+ 376.18856 172.8
[M+HCOO]- 438.18950 206.3
[M+CH3COO]- 452.20515 250.9
[M+Na-2H]- 414.16597 192.0
[M]+ 393.19075 186.4
[M]- 393.19185 186.4
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.