CID 3096593

325777-37-5

Structural Information

Molecular Formula
C16H10Cl2N4O5
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])C(=C(N2)O)N=NC(=O)COC3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C16H10Cl2N4O5/c17-8-1-4-13(11(18)5-8)27-7-14(23)20-21-15-10-6-9(22(25)26)2-3-12(10)19-16(15)24/h1-6,19,24H,7H2
InChIKey
WRTKCRQWRLSBAE-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenoxy)-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

408.00284 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.01012 188.5
[M+Na]+ 430.99206 196.8
[M-H]- 406.99556 195.0
[M+NH4]+ 426.03666 200.3
[M+K]+ 446.96600 187.6
[M+H-H2O]+ 391.00010 185.8
[M+HCOO]- 453.00104 205.6
[M+CH3COO]- 467.01669 216.8
[M+Na-2H]- 428.97751 194.0
[M]+ 408.00229 194.4
[M]- 408.00339 194.4
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.