CID 83629

13631-64-6

Structural Information

Molecular Formula
C10H9N3S
SMILES
C1=CC=C(C=C1)N=C(C2=CSC=N2)N
InChI
InChI=1S/C10H9N3S/c11-10(9-6-14-7-12-9)13-8-4-2-1-3-5-8/h1-7H,(H2,11,13)
InChIKey
HRWBQLWDZDPSPP-UHFFFAOYSA-N
Compound name
N'-phenyl-1,3-thiazole-4-carboximidamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

17
Patents

203.05171 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.058986 141.6
[M+Na]+ 226.040928 149.5
[M-H]- 202.044434 148.3
[M+NH4]+ 221.085533 161.3
[M+K]+ 242.014868 145.9
[M+H-H2O]+ 186.048970 133.8
[M+HCOO]- 248.049911 163.8
[M+CH3COO]- 262.065561 154.9
[M+Na-2H]- 224.026376 145.4
[M]+ 203.05116142 141.0
[M]- 203.05225858 141.0
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