CID 5928760

Nsc673735

Structural Information

Molecular Formula
C11H16N4S
SMILES
CC1=NC(=CC=C1)/C(=N/NC(=S)N(C)C)/C
InChI
InChI=1S/C11H16N4S/c1-8-6-5-7-10(12-8)9(2)13-14-11(16)15(3)4/h5-7H,1-4H3,(H,14,16)/b13-9+
InChIKey
UAPYFZZDLZAORZ-UKTHLTGXSA-N
Compound name
1,1-dimethyl-3-[(E)-1-(6-methylpyridin-2-yl)ethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.10957 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.11685 154.6
[M+Na]+ 259.09879 160.5
[M-H]- 235.10229 159.7
[M+NH4]+ 254.14339 172.1
[M+K]+ 275.07273 158.6
[M+H-H2O]+ 219.10683 146.3
[M+HCOO]- 281.10777 175.0
[M+CH3COO]- 295.12342 203.6
[M+Na-2H]- 257.08424 156.6
[M]+ 236.10902 156.2
[M]- 236.11012 156.2
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.