CID 369999

Nsc642563

Structural Information

Molecular Formula
C20H20N6O5
SMILES
COC1=CC=CC=C1NC(=O)CC(=O)NNCC(=O)NC2=NN=C(O2)C3=CC=CC=C3
InChI
InChI=1S/C20H20N6O5/c1-30-15-10-6-5-9-14(15)22-16(27)11-17(28)24-21-12-18(29)23-20-26-25-19(31-20)13-7-3-2-4-8-13/h2-10,21H,11-12H2,1H3,(H,22,27)(H,24,28)(H,23,26,29)
InChIKey
KPPOTKDYPBPFRW-UHFFFAOYSA-N
Compound name
N-(2-methoxyphenyl)-3-oxo-3-[2-[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl]hydrazinyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.1495 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.15678 195.8
[M+Na]+ 447.13872 198.2
[M-H]- 423.14222 203.9
[M+NH4]+ 442.18332 201.0
[M+K]+ 463.11266 196.9
[M+H-H2O]+ 407.14676 184.0
[M+HCOO]- 469.14770 219.3
[M+CH3COO]- 483.16335 233.7
[M+Na-2H]- 445.12417 199.7
[M]+ 424.14895 197.6
[M]- 424.15005 197.6
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.