CID 28934717

3-amino-1-[2-(propan-2-yl)phenyl]thiourea

Structural Information

Molecular Formula
C10H15N3S
SMILES
CC(C)C1=CC=CC=C1NC(=S)NN
InChI
InChI=1S/C10H15N3S/c1-7(2)8-5-3-4-6-9(8)12-10(14)13-11/h3-7H,11H2,1-2H3,(H2,12,13,14)
InChIKey
OHSGYRCXZGEYHU-UHFFFAOYSA-N
Compound name
1-amino-3-(2-propan-2-ylphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

209.09866 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.105936 146.5
[M+Na]+ 232.087878 151.8
[M-H]- 208.091384 149.6
[M+NH4]+ 227.132483 164.7
[M+K]+ 248.061818 148.2
[M+H-H2O]+ 192.095920 139.6
[M+HCOO]- 254.096861 165.6
[M+CH3COO]- 268.112511 193.0
[M+Na-2H]- 230.073326 148.0
[M]+ 209.09811142 143.8
[M]- 209.09920858 143.8
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