CID 3005617

N,n-dimethyl-2-[1-(2-pyridinyl)ethylidene]hydrazinecarbothioamide

Structural Information

Molecular Formula
C10H14N4S
SMILES
CC(=NNC(=S)N(C)C)C1=CC=CC=N1
InChI
InChI=1S/C10H14N4S/c1-8(9-6-4-5-7-11-9)12-13-10(15)14(2)3/h4-7H,1-3H3,(H,13,15)
InChIKey
ZMZIYBQONAEPNV-UHFFFAOYSA-N
Compound name
1,1-dimethyl-3-(1-pyridin-2-ylethylideneamino)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

17
Patents

222.09392 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.10120 150.2
[M+Na]+ 245.08314 155.6
[M-H]- 221.08664 155.1
[M+NH4]+ 240.12774 168.0
[M+K]+ 261.05708 154.0
[M+H-H2O]+ 205.09118 141.9
[M+HCOO]- 267.09212 170.9
[M+CH3COO]- 281.10777 199.4
[M+Na-2H]- 243.06859 153.4
[M]+ 222.09337 151.0
[M]- 222.09447 151.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe