CID 2758514

22283-43-8

Structural Information

Molecular Formula
C9H13N3S
SMILES
CN(C)C1=CC=C(C=C1)NC(=S)N
InChI
InChI=1S/C9H13N3S/c1-12(2)8-5-3-7(4-6-8)11-9(10)13/h3-6H,1-2H3,(H3,10,11,13)
InChIKey
IETJMRDFWVXWMR-UHFFFAOYSA-N
Compound name
[4-(dimethylamino)phenyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

39
Patents

195.08302 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.09030 141.9
[M+Na]+ 218.07224 148.0
[M-H]- 194.07574 146.6
[M+NH4]+ 213.11684 161.3
[M+K]+ 234.04618 145.6
[M+H-H2O]+ 178.08028 134.9
[M+HCOO]- 240.08122 162.8
[M+CH3COO]- 254.09687 193.1
[M+Na-2H]- 216.05769 144.3
[M]+ 195.08247 140.8
[M]- 195.08357 140.8
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

patents stripe