CID 2798117

Imm-01

Structural Information

Molecular Formula
C12H17N3O2S
SMILES
CC(C)(C)NC(=S)NN=CC1=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)
InChIKey
LTFUAYRGVLQXKC-UHFFFAOYSA-N
Compound name
1-tert-butyl-3-[(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 162.8
[M+Na]+ 290.09338 170.2
[M+NH4]+ 285.13798 168.7
[M+K]+ 306.06732 164.2
[M-H]- 266.09688 164.0
[M+Na-2H]- 288.07883 166.4
[M]+ 267.10361 164.2
[M]- 267.10471 164.2
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

patents stripe