CID 135666512

Whr 1370a

Structural Information

Molecular Formula

C₁₄H₂₂N₄O₂

SMILES

CCCCON/N=C/NC(=O)NC1=C(C=CC=C1C)C

InChI

InChI=1S/C14H22N4O2/c1-4-5-9-20-18-16-10-15-14(19)17-13-11(2)7-6-8-12(13)3/h6-8,10,18H,4-5,9H2,1-3H3,(H2,15,16,17,19)

InChIKey

WGIDVYRVIVNBSM-UHFFFAOYSA-N

Compound name

1-[(E)-(butoxyhydrazinylidene)methyl]-3-(2,6-dimethylphenyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 278.1743 Da
Monoisotopic Mass: 3.3
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]+	279.181576	165.8
[M+Na]+	301.163518	170.2
[M-H]-	277.167024	170.4
[M+NH4]+	296.208123	181.5
[M+K]+	317.137458	168.4
[M+H-H2O]+	261.171560	157.3
[M+HCOO]-	323.172501	194.0
[M+CH3COO]-	337.188151	212.8
[M+Na-2H]-	299.148966	170.4
[M]+	278.17375142	167.6
[M]-	278.17484858	167.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.