CID 3069727

85080-18-8

Structural Information

Molecular Formula
C21H24N4O4
SMILES
CCN(CC)CC(=O)NNC(=O)C(=O)C1=CC=CC=C1NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C21H24N4O4/c1-3-25(4-2)14-18(26)23-24-21(29)19(27)16-12-8-9-13-17(16)22-20(28)15-10-6-5-7-11-15/h5-13H,3-4,14H2,1-2H3,(H,22,28)(H,23,26)(H,24,29)
InChIKey
MTVMGBOAZLMKNU-UHFFFAOYSA-N
Compound name
N-[2-[2-[2-[2-(diethylamino)acetyl]hydrazinyl]-2-oxoacetyl]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.17975 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.187026 195.9
[M+Na]+ 419.168968 196.6
[M-H]- 395.172474 202.8
[M+NH4]+ 414.213573 205.2
[M+K]+ 435.142908 195.6
[M+H-H2O]+ 379.177010 185.6
[M+HCOO]- 441.177951 220.0
[M+CH3COO]- 455.193601 234.1
[M+Na-2H]- 417.154416 196.0
[M]+ 396.17920142 196.2
[M]- 396.18029858 196.2
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.