CID 13670214

Benzoic acid, 2-((benzoyloxy)methyl)-, 1-(3-methoxy-3-oxopropyl)-2,2-dimethylhydrazide

Structural Information

Molecular Formula
C21H24N2O5
SMILES
CN(C)N(CCC(=O)OC)C(=O)C1=CC=CC=C1COC(=O)C2=CC=CC=C2
InChI
InChI=1S/C21H24N2O5/c1-22(2)23(14-13-19(24)27-3)20(25)18-12-8-7-11-17(18)15-28-21(26)16-9-5-4-6-10-16/h4-12H,13-15H2,1-3H3
InChIKey
XSJZYCOXWFBAGO-UHFFFAOYSA-N
Compound name
[2-[dimethylamino-(3-methoxy-3-oxopropyl)carbamoyl]phenyl]methyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

384.16852 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.175796 192.5
[M+Na]+ 407.157738 195.0
[M-H]- 383.161244 200.9
[M+NH4]+ 402.202343 203.8
[M+K]+ 423.131678 195.5
[M+H-H2O]+ 367.165780 182.4
[M+HCOO]- 429.166721 216.1
[M+CH3COO]- 443.182371 229.3
[M+Na-2H]- 405.143186 192.1
[M]+ 384.16797142 198.3
[M]- 384.16906858 198.3
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

patents stripe