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
1
Annotation Hits

0
References

3
Patents

203.05171 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.05899 141.6
[M+Na]+ 226.04093 149.5
[M-H]- 202.04443 148.3
[M+NH4]+ 221.08553 161.3
[M+K]+ 242.01487 145.9
[M+H-H2O]+ 186.04897 133.8
[M+HCOO]- 248.04991 163.8
[M+CH3COO]- 262.06556 154.9
[M+Na-2H]- 224.02638 145.4
[M]+ 203.05116 141.0
[M]- 203.05226 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