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 178.1
[M+Na]+ 381.03610 185.9
[M-H]- 357.03960 185.1
[M+NH4]+ 376.08070 191.3
[M+K]+ 397.01004 176.5
[M+H-H2O]+ 341.04414 174.5
[M+HCOO]- 403.04508 200.2
[M+CH3COO]- 417.06073 209.3
[M+Na-2H]- 379.02155 184.9
[M]+ 358.04633 180.8
[M]- 358.04743 180.8
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.