CID 3069730

85080-20-2

Structural Information

Molecular Formula
C21H22N4O4
SMILES
C1CCN(C1)CC(=O)NNC(=O)C(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C21H22N4O4/c26-18(14-25-12-6-7-13-25)23-24-21(29)19(27)16-10-4-5-11-17(16)22-20(28)15-8-2-1-3-9-15/h1-5,8-11H,6-7,12-14H2,(H,22,28)(H,23,26)(H,24,29)
InChIKey
IXZNOZKEEOSLFR-UHFFFAOYSA-N
Compound name
N-[2-[2-oxo-2-[2-(2-pyrrolidin-1-ylacetyl)hydrazinyl]acetyl]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.1641 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.17138 191.1
[M+Na]+ 417.15332 191.4
[M-H]- 393.15682 198.5
[M+NH4]+ 412.19792 200.1
[M+K]+ 433.12726 188.6
[M+H-H2O]+ 377.16136 180.7
[M+HCOO]- 439.16230 211.8
[M+CH3COO]- 453.17795 224.9
[M+Na-2H]- 415.13877 190.5
[M]+ 394.16355 186.9
[M]- 394.16465 186.9
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.