CID 136029262

Ec 414-260-1

Structural Information

Molecular Formula
C23H20N4O5
SMILES
CC1=C(C(=O)N(C(=C1C#N)O)C)N=NC2=CC=C(C=C2)C(=O)OCCOC3=CC=CC=C3
InChI
InChI=1S/C23H20N4O5/c1-15-19(14-24)21(28)27(2)22(29)20(15)26-25-17-10-8-16(9-11-17)23(30)32-13-12-31-18-6-4-3-5-7-18/h3-11,28H,12-13H2,1-2H3
InChIKey
XEFHWUWSQMVSHI-UHFFFAOYSA-N
Compound name
2-phenoxyethyl 4-[(5-cyano-6-hydroxy-1,4-dimethyl-2-oxopyridin-3-yl)diazenyl]benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

432.14337 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.15065 206.5
[M+Na]+ 455.13259 215.6
[M-H]- 431.13609 213.8
[M+NH4]+ 450.17719 213.0
[M+K]+ 471.10653 210.7
[M+H-H2O]+ 415.14063 188.3
[M+HCOO]- 477.14157 226.8
[M+CH3COO]- 491.15722 242.9
[M+Na-2H]- 453.11804 207.0
[M]+ 432.14282 206.5
[M]- 432.14392 206.5
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

patents stripe