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 175.2
[M+Na]+ 359.11147 181.4
[M-H]- 335.11497 182.1
[M+NH4]+ 354.15607 189.0
[M+K]+ 375.08541 177.2
[M+H-H2O]+ 319.11951 165.9
[M+HCOO]- 381.12045 201.2
[M+CH3COO]- 395.13610 214.5
[M+Na-2H]- 357.09692 180.9
[M]+ 336.12170 176.5
[M]- 336.12280 176.5
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.