CID 141991257

Pfm39

Structural Information

Molecular Formula
C10H9N3OS
SMILES
C1=CC(=CC=C1/C=C\2/C(=O)NC(=N)S2)N
InChI
InChI=1S/C10H9N3OS/c11-7-3-1-6(2-4-7)5-8-9(14)13-10(12)15-8/h1-5H,11H2,(H2,12,13,14)/b8-5-
InChIKey
QXOIZYPBCJHYLN-YVMONPNESA-N
Compound name
(5Z)-5-[(4-aminophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

219.04663 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.05391 146.6
[M+Na]+ 242.03585 154.8
[M-H]- 218.03935 150.7
[M+NH4]+ 237.08045 164.7
[M+K]+ 258.00979 148.6
[M+H-H2O]+ 202.04389 140.0
[M+HCOO]- 264.04483 164.4
[M+CH3COO]- 278.06048 186.1
[M+Na-2H]- 240.02130 146.8
[M]+ 219.04608 141.3
[M]- 219.04718 141.3
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