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]+ 399.166306 194.0
[M+Na]+ 421.148248 195.9
[M-H]- 397.151754 201.5
[M+NH4]+ 416.192853 203.5
[M+K]+ 437.122188 195.9
[M+H-H2O]+ 381.156290 183.8
[M+HCOO]- 443.157231 218.6
[M+CH3COO]- 457.172881 234.8
[M+Na-2H]- 419.133696 194.1
[M]+ 398.15848142 195.7
[M]- 398.15957858 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.