CID 80859

Einecs 229-105-1

Structural Information

Molecular Formula
C24H17ClN4O5
SMILES
COC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=C(C=C(C=C4)Cl)[N+](=O)[O-]
InChI
InChI=1S/C24H17ClN4O5/c1-34-21-9-5-4-8-19(21)26-24(31)17-12-14-6-2-3-7-16(14)22(23(17)30)28-27-18-11-10-15(25)13-20(18)29(32)33/h2-13,30H,1H3,(H,26,31)
InChIKey
UEOKHCPTIWVVEV-UHFFFAOYSA-N
Compound name
4-[(4-chloro-2-nitrophenyl)diazenyl]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

19
Patents

476.08875 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.09603 210.5
[M+Na]+ 499.07797 215.6
[M-H]- 475.08147 221.9
[M+NH4]+ 494.12257 218.0
[M+K]+ 515.05191 207.1
[M+H-H2O]+ 459.08601 203.9
[M+HCOO]- 521.08695 232.3
[M+CH3COO]- 535.10260 239.2
[M+Na-2H]- 497.06342 216.6
[M]+ 476.08820 214.2
[M]- 476.08930 214.2
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

patents stripe