CID 2724563

Amidinothiourea

Structural Information

Molecular Formula
C2H6N4S
SMILES
C(=NC(=S)N)(N)N
InChI
InChI=1S/C2H6N4S/c3-1(4)6-2(5)7/h(H6,3,4,5,6,7)
InChIKey
OKGXJRGLYVRVNE-UHFFFAOYSA-N
Compound name
diaminomethylidenethiourea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

60
References

2842
Patents

118.03132 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.03860 121.2
[M+Na]+ 141.02054 127.2
[M-H]- 117.02404 121.7
[M+NH4]+ 136.06514 142.4
[M+K]+ 156.99448 125.8
[M+H-H2O]+ 101.02858 114.9
[M+HCOO]- 163.02952 142.1
[M+CH3COO]- 177.04517 177.9
[M+Na-2H]- 139.00599 122.8
[M]+ 118.03077 115.5
[M]- 118.03187 115.5
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