CID 109041

61038-97-9

Structural Information

Molecular Formula
C24H28N4O7
SMILES
CC(=O)NC1=C(C=CC(=C1)N(CCC(=O)OC)CCC(=O)OC)N=NC2=CC=C(C=C2)C(=O)OC
InChI
InChI=1S/C24H28N4O7/c1-16(29)25-21-15-19(28(13-11-22(30)33-2)14-12-23(31)34-3)9-10-20(21)27-26-18-7-5-17(6-8-18)24(32)35-4/h5-10,15H,11-14H2,1-4H3,(H,25,29)
InChIKey
HMRLZWZWXRVZDE-UHFFFAOYSA-N
Compound name
methyl 4-[[2-acetamido-4-[bis(3-methoxy-3-oxopropyl)amino]phenyl]diazenyl]benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

484.1958 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.20308 213.3
[M+Na]+ 507.18502 219.6
[M+NH4]+ 502.22962 214.9
[M+K]+ 523.15896 216.6
[M-H]- 483.18852 215.7
[M+Na-2H]- 505.17047 217.0
[M]+ 484.19525 214.0
[M]- 484.19635 214.0
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