CID 135845680

881470-12-8

Structural Information

Molecular Formula
C18H16N4O3
SMILES
COC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=CNC3=CC=CC=C32
InChI
InChI=1S/C18H16N4O3/c1-25-14-8-6-13(7-9-14)21-17(23)18(24)22-20-11-12-10-19-16-5-3-2-4-15(12)16/h2-11,19H,1H3,(H,21,23)(H,22,24)/b20-11+
InChIKey
TYCDTKBEAKPFPC-RGVLZGJSSA-N
Compound name
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-(4-methoxyphenyl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.12225 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.12953 178.0
[M+Na]+ 359.11147 188.5
[M+NH4]+ 354.15607 183.7
[M+K]+ 375.08541 184.3
[M-H]- 335.11497 181.7
[M+Na-2H]- 357.09692 184.8
[M]+ 336.12170 180.0
[M]- 336.12280 180.0
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.