CID 3858963

392741-74-1

Structural Information

Molecular Formula
C16H20N4O4
SMILES
CCCCCCCC(=O)N=NC1=C(NC2=C1C=C(C=C2)[N+](=O)[O-])O
InChI
InChI=1S/C16H20N4O4/c1-2-3-4-5-6-7-14(21)18-19-15-12-10-11(20(23)24)8-9-13(12)17-16(15)22/h8-10,17,22H,2-7H2,1H3
InChIKey
GOANETNRQHJSJJ-UHFFFAOYSA-N
Compound name
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]octanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.14847 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.155746 175.4
[M+Na]+ 355.137688 181.0
[M-H]- 331.141194 178.8
[M+NH4]+ 350.182293 189.3
[M+K]+ 371.111628 173.4
[M+H-H2O]+ 315.145730 171.6
[M+HCOO]- 377.146671 201.0
[M+CH3COO]- 391.162321 208.4
[M+Na-2H]- 353.123136 181.3
[M]+ 332.14792142 177.8
[M]- 332.14901858 177.8
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.