CID 2824482

Ns00018536

Structural Information

Molecular Formula
C13H19N3OS
SMILES
CC(C)(C)NC(=S)NN=C1CCCC2=C1C=CO2
InChI
InChI=1S/C13H19N3OS/c1-13(2,3)14-12(18)16-15-10-5-4-6-11-9(10)7-8-17-11/h7-8H,4-6H2,1-3H3,(H2,14,16,18)
InChIKey
UIUXPWXZFQMGCT-UHFFFAOYSA-N
Compound name
1-tert-butyl-3-(6,7-dihydro-5H-1-benzofuran-4-ylideneamino)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

265.12488 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.132156 161.9
[M+Na]+ 288.114098 166.9
[M-H]- 264.117604 167.7
[M+NH4]+ 283.158703 180.5
[M+K]+ 304.088038 165.0
[M+H-H2O]+ 248.122140 155.7
[M+HCOO]- 310.123081 179.3
[M+CH3COO]- 324.138731 202.6
[M+Na-2H]- 286.099546 165.9
[M]+ 265.12433142 161.5
[M]- 265.12542858 161.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.