CID 27391

15563-12-9

Structural Information

Molecular Formula

C₁₃H₂₀N₂O₄

SMILES

CC(C)NNC(=O)C1=CC(=C(C(=C1)OC)OC)OC

InChI

InChI=1S/C13H20N2O4/c1-8(2)14-15-13(16)9-6-10(17-3)12(19-5)11(7-9)18-4/h6-8,14H,1-5H3,(H,15,16)

InChIKey

ZFTFLJTVUCFSRS-UHFFFAOYSA-N

Compound name

3,4,5-trimethoxy-N'-propan-2-ylbenzohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 268.1423 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	269.149576	161.2
[M+Na]+	291.131518	167.4
[M-H]-	267.135024	165.1
[M+NH4]+	286.176123	177.5
[M+K]+	307.105458	167.3
[M+H-H2O]+	251.139560	154.0
[M+HCOO]-	313.140501	185.5
[M+CH3COO]-	327.156151	205.5
[M+Na-2H]-	289.116966	163.3
[M]+	268.14175142	165.9
[M]-	268.14284858	165.9

Literature stripe

literature stripe

Patent stripe

patents stripe