CID 2803317

Ns00016343

Structural Information

Molecular Formula
C19H19N3O4
SMILES
CN(C)C1=CC=C(C=C1)C(=O)NNC(=O)C=CC2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C19H19N3O4/c1-22(2)15-7-5-14(6-8-15)19(24)21-20-18(23)10-4-13-3-9-16-17(11-13)26-12-25-16/h3-11H,12H2,1-2H3,(H,20,23)(H,21,24)
InChIKey
WTYHCELXICABQE-UHFFFAOYSA-N
Compound name
N'-[3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-4-(dimethylamino)benzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

353.13754 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.144816 185.9
[M+Na]+ 376.126758 190.2
[M-H]- 352.130264 195.8
[M+NH4]+ 371.171363 198.1
[M+K]+ 392.100698 189.8
[M+H-H2O]+ 336.134800 177.4
[M+HCOO]- 398.135741 208.6
[M+CH3COO]- 412.151391 221.5
[M+Na-2H]- 374.112206 189.2
[M]+ 353.13699142 188.0
[M]- 353.13808858 188.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.