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 194.0
[M+Na]+ 421.14825 195.9
[M-H]- 397.15175 201.5
[M+NH4]+ 416.19285 203.5
[M+K]+ 437.12219 195.9
[M+H-H2O]+ 381.15629 183.8
[M+HCOO]- 443.15723 218.6
[M+CH3COO]- 457.17288 234.8
[M+Na-2H]- 419.13370 194.1
[M]+ 398.15848 195.7
[M]- 398.15958 195.7
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.