CID 109929

68258-61-7

Structural Information

Molecular Formula
C26H21ClN4O7
SMILES
COC1=C(C=C(C=C1)[N+](=O)[O-])N=NC2=C(C(=CC3=CC=CC=C32)C(=O)NC4=CC(=C(C=C4OC)OC)Cl)O
InChI
InChI=1S/C26H21ClN4O7/c1-36-21-9-8-15(31(34)35)11-20(21)29-30-24-16-7-5-4-6-14(16)10-17(25(24)32)26(33)28-19-12-18(27)22(37-2)13-23(19)38-3/h4-13,32H,1-3H3,(H,28,33)
InChIKey
UGMWLTPHLQKSTP-UHFFFAOYSA-N
Compound name
N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxy-4-[(2-methoxy-5-nitrophenyl)diazenyl]naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

536.10986 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.11714 225.8
[M+Na]+ 559.09908 230.7
[M-H]- 535.10258 237.4
[M+NH4]+ 554.14368 231.0
[M+K]+ 575.07302 224.1
[M+H-H2O]+ 519.10712 218.5
[M+HCOO]- 581.10806 246.8
[M+CH3COO]- 595.12371 251.9
[M+Na-2H]- 557.08453 230.2
[M]+ 536.10931 233.4
[M]- 536.11041 233.4
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.