CID 3069722

85080-15-5

Structural Information

Molecular Formula
C20H22N4O5
SMILES
CN(C)CC(=O)NNC(=O)C(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C20H22N4O5/c1-24(2)12-17(25)22-23-20(28)18(26)15-6-4-5-7-16(15)21-19(27)13-8-10-14(29-3)11-9-13/h4-11H,12H2,1-3H3,(H,21,27)(H,22,25)(H,23,28)
InChIKey
VXQLJEUAQZEDOG-UHFFFAOYSA-N
Compound name
N-[2-[2-[2-[2-(dimethylamino)acetyl]hydrazinyl]-2-oxoacetyl]phenyl]-4-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.15903 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.16631 193.8
[M+Na]+ 421.14825 200.5
[M+NH4]+ 416.19285 196.9
[M+K]+ 437.12219 197.6
[M-H]- 397.15175 196.5
[M+Na-2H]- 419.13370 198.3
[M]+ 398.15848 194.7
[M]- 398.15958 194.7
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.