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]+ 397.18703 195.9
[M+Na]+ 419.16897 196.6
[M-H]- 395.17247 202.8
[M+NH4]+ 414.21357 205.2
[M+K]+ 435.14291 195.6
[M+H-H2O]+ 379.17701 185.6
[M+HCOO]- 441.17795 220.0
[M+CH3COO]- 455.19360 234.1
[M+Na-2H]- 417.15442 196.0
[M]+ 396.17920 196.2
[M]- 396.18030 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.