CID 135583639

764693-11-0

Structural Information

Molecular Formula
C18H16N4O3
SMILES
COC1=CC=CC(=C1)NC(=O)C(=O)N/N=C/C2=CNC3=CC=CC=C32
InChI
InChI=1S/C18H16N4O3/c1-25-14-6-4-5-13(9-14)21-17(23)18(24)22-20-11-12-10-19-16-8-3-2-7-15(12)16/h2-11,19H,1H3,(H,21,23)(H,22,24)/b20-11+
InChIKey
HQNFFCAXMTVELB-RGVLZGJSSA-N
Compound name
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-(3-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]+ 337.129526 175.2
[M+Na]+ 359.111468 181.4
[M-H]- 335.114974 182.1
[M+NH4]+ 354.156073 189.0
[M+K]+ 375.085408 177.2
[M+H-H2O]+ 319.119510 165.9
[M+HCOO]- 381.120451 201.2
[M+CH3COO]- 395.136101 214.5
[M+Na-2H]- 357.096916 180.9
[M]+ 336.12170142 176.5
[M]- 336.12279858 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.