CID 5141660

1,1-dimethyl-4-(p-tolyl)semicarbazide

Structural Information

Molecular Formula

C₁₀H₁₅N₃O

SMILES

CC1=CC=C(C=C1)NC(=O)NN(C)C

InChI

InChI=1S/C10H15N3O/c1-8-4-6-9(7-5-8)11-10(14)12-13(2)3/h4-7H,1-3H3,(H2,11,12,14)

InChIKey

SRSHORSCGVISMG-UHFFFAOYSA-N

Compound name

1-(dimethylamino)-3-(4-methylphenyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 193.1215 Da
Monoisotopic Mass: 1.8
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]+	194.12878	143.5
[M+Na]+	216.11072	149.1
[M-H]-	192.11422	148.7
[M+NH4]+	211.15532	162.8
[M+K]+	232.08466	148.7
[M+H-H2O]+	176.11876	136.4
[M+HCOO]-	238.11970	170.7
[M+CH3COO]-	252.13535	194.4
[M+Na-2H]-	214.09617	149.2
[M]+	193.12095	143.0
[M]-	193.12205	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe