CID 9574725

[(z)-(3-amino-4-isopropyl-phenyl)methyleneamino]thiourea

Structural Information

Molecular Formula
C11H16N4S
SMILES
CC(C)C1=C(C=C(C=C1)/C=N\NC(=S)N)N
InChI
InChI=1S/C11H16N4S/c1-7(2)9-4-3-8(5-10(9)12)6-14-15-11(13)16/h3-7H,12H2,1-2H3,(H3,13,15,16)/b14-6-
InChIKey
NPWCHCDSDYXUNC-NSIKDUERSA-N
Compound name
[(Z)-(3-amino-4-propan-2-ylphenyl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

236.10957 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.11685 153.9
[M+Na]+ 259.09879 159.4
[M-H]- 235.10229 157.8
[M+NH4]+ 254.14339 171.2
[M+K]+ 275.07273 155.5
[M+H-H2O]+ 219.10683 146.2
[M+HCOO]- 281.10777 174.5
[M+CH3COO]- 295.12342 203.5
[M+Na-2H]- 257.08424 154.0
[M]+ 236.10902 151.2
[M]- 236.11012 151.2
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.