CID 9579114

1,1,3-trimethyl-3-[(e)-1-(2-pyridyl)ethylideneamino]thiourea

Structural Information

Molecular Formula
C11H16N4S
SMILES
C/C(=N\N(C)C(=S)N(C)C)/C1=CC=CC=N1
InChI
InChI=1S/C11H16N4S/c1-9(10-7-5-6-8-12-10)13-15(4)11(16)14(2)3/h5-8H,1-4H3/b13-9+
InChIKey
XBQKQXYELINKEQ-UKTHLTGXSA-N
Compound name
1,1,3-trimethyl-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

236.10957 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.11685 155.0
[M+Na]+ 259.09879 160.1
[M-H]- 235.10229 161.2
[M+NH4]+ 254.14339 172.8
[M+K]+ 275.07273 159.7
[M+H-H2O]+ 219.10683 146.2
[M+HCOO]- 281.10777 175.8
[M+CH3COO]- 295.12342 205.9
[M+Na-2H]- 257.08424 157.0
[M]+ 236.10902 157.5
[M]- 236.11012 157.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.