CID 9554755

Nsc670941

Structural Information

Molecular Formula
C11H16N4S
SMILES
CCCCNC(=S)N/N=C/C1=CC=CC=N1
InChI
InChI=1S/C11H16N4S/c1-2-3-7-13-11(16)15-14-9-10-6-4-5-8-12-10/h4-6,8-9H,2-3,7H2,1H3,(H2,13,15,16)/b14-9+
InChIKey
FGHDRBMQSGMORH-NTEUORMPSA-N
Compound name
1-butyl-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

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.11685 152.7
[M+Na]+ 259.09879 157.8
[M-H]- 235.10229 155.7
[M+NH4]+ 254.14339 169.3
[M+K]+ 275.07273 154.0
[M+H-H2O]+ 219.10683 144.2
[M+HCOO]- 281.10777 173.7
[M+CH3COO]- 295.12342 198.2
[M+Na-2H]- 257.08424 157.2
[M]+ 236.10902 153.2
[M]- 236.11012 153.2
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.