CID 36602

33812-14-5

Structural Information

Molecular Formula

C₁₂H₁₇N₃S₂

SMILES

CN(C)C(=S)N(C1=CC=CC=C1)C(=S)N(C)C

InChI

InChI=1S/C12H17N3S2/c1-13(2)11(16)15(12(17)14(3)4)10-8-6-5-7-9-10/h5-9H,1-4H3

InChIKey

ZWWUXDXOKQTSPQ-UHFFFAOYSA-N

Compound name

1-(dimethylcarbamothioyl)-3,3-dimethyl-1-phenylthiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 267.0864 Da
Monoisotopic Mass: 2.3
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]+	268.09368	159.8
[M+Na]+	290.07562	167.6
[M+NH4]+	285.12022	168.2
[M+K]+	306.04956	159.5
[M-H]-	266.07912	163.9
[M+Na-2H]-	288.06107	165.3
[M]+	267.08585	162.8
[M]-	267.08695	162.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe