CID 9571906

Nsc670933

Structural Information

Molecular Formula
C11H16N4S
SMILES
CCCNC(=S)N/N=C/C1=CC=CC(=N1)C
InChI
InChI=1S/C11H16N4S/c1-3-7-12-11(16)15-13-8-10-6-4-5-9(2)14-10/h4-6,8H,3,7H2,1-2H3,(H2,12,15,16)/b13-8+
InChIKey
MHUYOCMNHSGPCA-MDWZMJQESA-N
Compound name
1-[(E)-(6-methylpyridin-2-yl)methylideneamino]-3-propylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.10957 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.11685 153.2
[M+Na]+ 259.09879 159.2
[M-H]- 235.10229 156.6
[M+NH4]+ 254.14339 170.1
[M+K]+ 275.07273 155.4
[M+H-H2O]+ 219.10683 145.0
[M+HCOO]- 281.10777 174.2
[M+CH3COO]- 295.12342 199.3
[M+Na-2H]- 257.08424 157.0
[M]+ 236.10902 154.1
[M]- 236.11012 154.1
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.