CID 5011759

328902-38-1

Structural Information

Molecular Formula
C16H11ClN4O4
SMILES
C1=CC(=CC=C1CC(=O)N=NC2=C(NC3=C2C=C(C=C3)[N+](=O)[O-])O)Cl
InChI
InChI=1S/C16H11ClN4O4/c17-10-3-1-9(2-4-10)7-14(22)19-20-15-12-8-11(21(24)25)5-6-13(12)18-16(15)23/h1-6,8,18,23H,7H2
InChIKey
JHAYVRMUTVMJDJ-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.04688 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.05416 176.3
[M+Na]+ 381.03610 190.2
[M+NH4]+ 376.08070 182.9
[M+K]+ 397.01004 187.8
[M-H]- 357.03960 181.4
[M+Na-2H]- 379.02155 183.3
[M]+ 358.04633 179.7
[M]- 358.04743 179.7
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.