CID 10334137

Dp44mt

Structural Information

Molecular Formula

C₁₄H₁₅N₅S

SMILES

CN(C)C(=S)NN=C(C1=CC=CC=N1)C2=CC=CC=N2

InChI

InChI=1S/C14H15N5S/c1-19(2)14(20)18-17-13(11-7-3-5-9-15-11)12-8-4-6-10-16-12/h3-10H,1-2H3,(H,18,20)

InChIKey

XOBIGRNRXCAMJQ-UHFFFAOYSA-N

Compound name

3-(dipyridin-2-ylmethylideneamino)-1,1-dimethylthiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 96
References: 175
Patents: 285.10483 Da
Monoisotopic Mass: 2.2
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]+	286.11211	162.8
[M+Na]+	308.09405	174.0
[M+NH4]+	303.13865	170.3
[M+K]+	324.06799	165.8
[M-H]-	284.09755	167.9
[M+Na-2H]-	306.07950	172.2
[M]+	285.10428	166.1
[M]-	285.10538	166.1

Literature stripe

literature stripe

Patent stripe

patents stripe