CID 595253

Maybridge1_003416

Structural Information

Molecular Formula

C₁₄H₂₂N₂OS

SMILES

CC1=C(C(=C(C(=C1C)C)CSCC(=O)NN)C)C

InChI

InChI=1S/C14H22N2OS/c1-8-9(2)11(4)13(12(5)10(8)3)6-18-7-14(17)16-15/h6-7,15H2,1-5H3,(H,16,17)

InChIKey

IKCNIXLVTFNALQ-UHFFFAOYSA-N

Compound name

2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]acetohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 266.1453 Da
Monoisotopic Mass: 2.8
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]+	267.152576	162.3
[M+Na]+	289.134518	170.2
[M-H]-	265.138024	166.0
[M+NH4]+	284.179123	179.7
[M+K]+	305.108458	165.9
[M+H-H2O]+	249.142560	155.7
[M+HCOO]-	311.143501	180.1
[M+CH3COO]-	325.159151	206.7
[M+Na-2H]-	287.119966	159.8
[M]+	266.14475142	165.4
[M]-	266.14584858	165.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.