CID 862405

N-methyl-5-phenyl-1,3,4-thiadiazol-2-amine hydrochloride

Structural Information

Molecular Formula
C9H9N3S
SMILES
CNC1=NN=C(S1)C2=CC=CC=C2
InChI
InChI=1S/C9H9N3S/c1-10-9-12-11-8(13-9)7-5-3-2-4-6-7/h2-6H,1H3,(H,10,12)
InChIKey
KYFFHIGZVFHJIV-UHFFFAOYSA-N
Compound name
N-methyl-5-phenyl-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

12
Patents

191.05171 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.05899 137.2
[M+Na]+ 214.04093 147.0
[M-H]- 190.04443 142.3
[M+NH4]+ 209.08553 156.5
[M+K]+ 230.01487 143.3
[M+H-H2O]+ 174.04897 129.7
[M+HCOO]- 236.04991 157.6
[M+CH3COO]- 250.06556 150.9
[M+Na-2H]- 212.02638 141.9
[M]+ 191.05116 138.5
[M]- 191.05226 138.5
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