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

56
Patents

267.10416 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.111436 161.2
[M+Na]+ 290.093378 166.7
[M-H]- 266.096884 163.5
[M+NH4]+ 285.137983 176.9
[M+K]+ 306.067318 162.6
[M+H-H2O]+ 250.101420 154.5
[M+HCOO]- 312.102361 178.9
[M+CH3COO]- 326.118011 200.0
[M+Na-2H]- 288.078826 163.8
[M]+ 267.10361142 160.7
[M]- 267.10470858 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