CID 135445526

Imm-01

Structural Information

Molecular Formula
C12H17N3O2S
SMILES
CC(C)(C)NC(=S)N/N=C/C1=C(C=C(C=C1)O)O
InChI
InChI=1S/C12H17N3O2S/c1-12(2,3)14-11(18)15-13-7-8-4-5-9(16)6-10(8)17/h4-7,16-17H,1-3H3,(H2,14,15,18)/b13-7+
InChIKey
LTFUAYRGVLQXKC-NTUHNPAUSA-N
Compound name
1-tert-butyl-3-[(E)-(2,4-dihydroxyphenyl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

150
Patents

267.10416 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.11144 161.2
[M+Na]+ 290.09338 166.7
[M-H]- 266.09688 163.5
[M+NH4]+ 285.13798 176.9
[M+K]+ 306.06732 162.6
[M+H-H2O]+ 250.10142 154.5
[M+HCOO]- 312.10236 178.9
[M+CH3COO]- 326.11801 200.0
[M+Na-2H]- 288.07883 163.8
[M]+ 267.10361 160.7
[M]- 267.10471 160.7
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

patents stripe