CID 136627434

881467-11-4

Structural Information

Molecular Formula
C17H14N4O2
SMILES
C1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=CNC3=CC=CC=C32
InChI
InChI=1S/C17H14N4O2/c22-16(20-13-6-2-1-3-7-13)17(23)21-19-11-12-10-18-15-9-5-4-8-14(12)15/h1-11,18H,(H,20,22)(H,21,23)/b19-11+
InChIKey
XHWXFANOHIMKIW-YBFXNURJSA-N
Compound name
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-phenyloxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.11166 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.118936 167.3
[M+Na]+ 329.100878 173.4
[M-H]- 305.104384 174.0
[M+NH4]+ 324.145483 182.2
[M+K]+ 345.074818 168.6
[M+H-H2O]+ 289.108920 158.3
[M+HCOO]- 351.109861 193.5
[M+CH3COO]- 365.125511 208.1
[M+Na-2H]- 327.086326 174.2
[M]+ 306.11111142 166.5
[M]- 306.11220858 166.5
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.