CID 135675018

134440-55-4

Structural Information

Molecular Formula
C20H23N3O5
SMILES
CC(C)(C)C1=C(C(=CC(=C1)CCC(=O)OC)N=NC2=CC=CC=C2[N+](=O)[O-])O
InChI
InChI=1S/C20H23N3O5/c1-20(2,3)14-11-13(9-10-18(24)28-4)12-16(19(14)25)22-21-15-7-5-6-8-17(15)23(26)27/h5-8,11-12,25H,9-10H2,1-4H3
InChIKey
WYAOOYQXXBXTAQ-UHFFFAOYSA-N
Compound name
methyl 3-[3-tert-butyl-4-hydroxy-5-[(2-nitrophenyl)diazenyl]phenyl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

385.16376 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.17104 189.9
[M+Na]+ 408.15298 201.4
[M+NH4]+ 403.19758 194.9
[M+K]+ 424.12692 198.6
[M-H]- 384.15648 194.5
[M+Na-2H]- 406.13843 195.9
[M]+ 385.16321 192.6
[M]- 385.16431 192.6
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

patents stripe