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

1
Patents

384.16852 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.17580 192.5
[M+Na]+ 407.15774 195.0
[M-H]- 383.16124 200.9
[M+NH4]+ 402.20234 203.8
[M+K]+ 423.13168 195.5
[M+H-H2O]+ 367.16578 182.4
[M+HCOO]- 429.16672 216.1
[M+CH3COO]- 443.18237 229.3
[M+Na-2H]- 405.14319 192.1
[M]+ 384.16797 198.3
[M]- 384.16907 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