CID 9571908

Nsc670938

Structural Information

Molecular Formula
C11H16N4S
SMILES
CC(C)(C)NC(=S)N/N=C/C1=CC=CC=N1
InChI
InChI=1S/C11H16N4S/c1-11(2,3)14-10(16)15-13-8-9-6-4-5-7-12-9/h4-8H,1-3H3,(H2,14,15,16)/b13-8+
InChIKey
ULLQNBIDEXPKQN-MDWZMJQESA-N
Compound name
1-tert-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

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.11685 154.6
[M+Na]+ 259.09879 160.2
[M-H]- 235.10229 158.0
[M+NH4]+ 254.14339 171.4
[M+K]+ 275.07273 156.8
[M+H-H2O]+ 219.10683 146.7
[M+HCOO]- 281.10777 174.1
[M+CH3COO]- 295.12342 197.8
[M+Na-2H]- 257.08424 159.7
[M]+ 236.10902 154.4
[M]- 236.11012 154.4
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.