CID 136679463

Ryqmauqrlpququ-uhfffaoysa-n

Structural Information

Molecular Formula
C26H32N4O7
SMILES
CC1=C(C(=O)N(C(=C1C#N)O)CC(=O)OCCOC(C)C)N=NC2=CC=C(C=C2)C(=O)OCCC(C)C
InChI
InChI=1S/C26H32N4O7/c1-16(2)10-11-37-26(34)19-6-8-20(9-7-19)28-29-23-18(5)21(14-27)24(32)30(25(23)33)15-22(31)36-13-12-35-17(3)4/h6-9,16-17,32H,10-13,15H2,1-5H3
InChIKey
SIILUGCBSRSKAH-UHFFFAOYSA-N
Compound name
3-methylbutyl 4-[[5-cyano-6-hydroxy-4-methyl-2-oxo-1-[2-oxo-2-(2-propan-2-yloxyethoxy)ethyl]pyridin-3-yl]diazenyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

512.2271 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.23438 217.3
[M+Na]+ 535.21632 225.3
[M+NH4]+ 530.26092 215.4
[M+K]+ 551.19026 218.6
[M-H]- 511.21982 210.6
[M+Na-2H]- 533.20177 216.6
[M]+ 512.22655 215.2
[M]- 512.22765 215.2
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.