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]+ 222.069566 146.0
[M+Na]+ 244.051508 153.4
[M-H]- 220.055014 151.7
[M+NH4]+ 239.096113 164.8
[M+K]+ 260.025448 149.1
[M+H-H2O]+ 204.059550 138.8
[M+HCOO]- 266.060491 165.9
[M+CH3COO]- 280.076141 189.4
[M+Na-2H]- 242.036956 148.4
[M]+ 221.06174142 143.9
[M]- 221.06283858 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.