CID 105708

67828-20-0

Structural Information

Molecular Formula
C25H19ClN4O5
SMILES
CC1=C(C=C(C=C1)[N+](=O)[O-])N=NC2=C(C(=CC3=CC=CC=C32)C(=O)NC4=C(C=CC(=C4)Cl)OC)O
InChI
InChI=1S/C25H19ClN4O5/c1-14-7-9-17(30(33)34)13-20(14)28-29-23-18-6-4-3-5-15(18)11-19(24(23)31)25(32)27-21-12-16(26)8-10-22(21)35-2/h3-13,31H,1-2H3,(H,27,32)
InChIKey
KYRHIHGLWNLWTO-UHFFFAOYSA-N
Compound name
N-(5-chloro-2-methoxyphenyl)-3-hydroxy-4-[(2-methyl-5-nitrophenyl)diazenyl]naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.1044 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.11168 216.3
[M+Na]+ 513.09362 221.7
[M-H]- 489.09712 227.7
[M+NH4]+ 508.13822 223.4
[M+K]+ 529.06756 213.2
[M+H-H2O]+ 473.10166 209.6
[M+HCOO]- 535.10260 237.6
[M+CH3COO]- 549.11825 243.4
[M+Na-2H]- 511.07907 221.1
[M]+ 490.10385 220.7
[M]- 490.10495 220.7
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.