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]+ 307.11894 167.3
[M+Na]+ 329.10088 173.4
[M-H]- 305.10438 174.0
[M+NH4]+ 324.14548 182.2
[M+K]+ 345.07482 168.6
[M+H-H2O]+ 289.10892 158.3
[M+HCOO]- 351.10986 193.5
[M+CH3COO]- 365.12551 208.1
[M+Na-2H]- 327.08633 174.2
[M]+ 306.11111 166.5
[M]- 306.11221 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.