CID 3073774

152449-58-6

Structural Information

Molecular Formula
C10H11N3OS
SMILES
C1C(=O)N(C(=N)S1)NCC2=CC=CC=C2
InChI
InChI=1S/C10H11N3OS/c11-10-13(9(14)7-15-10)12-6-8-4-2-1-3-5-8/h1-5,11-12H,6-7H2
InChIKey
FBSQEKATUGLOOF-UHFFFAOYSA-N
Compound name
3-(benzylamino)-2-imino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.06229 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.06957 146.0
[M+Na]+ 244.05151 153.4
[M-H]- 220.05501 151.7
[M+NH4]+ 239.09611 164.8
[M+K]+ 260.02545 149.1
[M+H-H2O]+ 204.05955 138.8
[M+HCOO]- 266.06049 165.9
[M+CH3COO]- 280.07614 189.4
[M+Na-2H]- 242.03696 148.4
[M]+ 221.06174 143.9
[M]- 221.06284 143.9
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

No patent data available for this compound.