CID 9554745

Nsc666000

Structural Information

Molecular Formula
C11H16N4S
SMILES
CCN(CC)C(=S)N/N=C/C1=CC=CC=N1
InChI
InChI=1S/C11H16N4S/c1-3-15(4-2)11(16)14-13-9-10-7-5-6-8-12-10/h5-9H,3-4H2,1-2H3,(H,14,16)/b13-9+
InChIKey
QVEJUAHZDHVQOV-UKTHLTGXSA-N
Compound name
1,1-diethyl-3-[(E)-pyridin-2-ylmethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.10957 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.11685 153.9
[M+Na]+ 259.09879 159.2
[M-H]- 235.10229 158.5
[M+NH4]+ 254.14339 171.2
[M+K]+ 275.07273 156.8
[M+H-H2O]+ 219.10683 145.2
[M+HCOO]- 281.10777 175.4
[M+CH3COO]- 295.12342 201.6
[M+Na-2H]- 257.08424 157.7
[M]+ 236.10902 155.7
[M]- 236.11012 155.7
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.