CID 136503672

881659-45-6

Structural Information

Molecular Formula
C21H20N4O5
SMILES
COC1=C(C=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC3=CC=CC=C3NC2=O)OC
InChI
InChI=1S/C21H20N4O5/c1-29-17-8-7-14(10-18(17)30-2)20(27)22-12-19(26)25-23-11-15-9-13-5-3-4-6-16(13)24-21(15)28/h3-11H,12H2,1-2H3,(H,22,27)(H,24,28)(H,25,26)/b23-11+
InChIKey
GIQSJSSGXQEUTO-FOKLQQMPSA-N
Compound name
3,4-dimethoxy-N-[2-oxo-2-[(2E)-2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.14337 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.150646 193.3
[M+Na]+ 431.132588 198.7
[M-H]- 407.136094 199.5
[M+NH4]+ 426.177193 202.1
[M+K]+ 447.106528 195.1
[M+H-H2O]+ 391.140630 182.6
[M+HCOO]- 453.141571 216.2
[M+CH3COO]- 467.157221 231.4
[M+Na-2H]- 429.118036 197.8
[M]+ 408.14282142 196.2
[M]- 408.14391858 196.2
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.