CID 135567965

571164-72-2

Structural Information

Molecular Formula
C18H16N4O2
SMILES
CC1=CC=CC=C1NC(=O)C(=O)N/N=C/C2=CNC3=CC=CC=C32
InChI
InChI=1S/C18H16N4O2/c1-12-6-2-4-8-15(12)21-17(23)18(24)22-20-11-13-10-19-16-9-5-3-7-14(13)16/h2-11,19H,1H3,(H,21,23)(H,22,24)/b20-11+
InChIKey
WNVWYGRIDDYBSN-RGVLZGJSSA-N
Compound name
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-(2-methylphenyl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.12732 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.13460 172.8
[M+Na]+ 343.11654 179.4
[M-H]- 319.12004 179.7
[M+NH4]+ 338.16114 187.4
[M+K]+ 359.09048 174.4
[M+H-H2O]+ 303.12458 163.8
[M+HCOO]- 365.12552 198.6
[M+CH3COO]- 379.14117 212.3
[M+Na-2H]- 341.10199 178.3
[M]+ 320.12677 172.8
[M]- 320.12787 172.8
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.