CID 9570758

65400-67-1

Structural Information

Molecular Formula
C12H15N3OS
SMILES
CN\1CCS/C1=N/CNC(=O)C2=CC=CC=C2
InChI
InChI=1S/C12H15N3OS/c1-15-7-8-17-12(15)14-9-13-11(16)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,16)/b14-12+
InChIKey
JHHMVVNOKBCEEO-WYMLVPIESA-N
Compound name
N-[[(E)-(3-methyl-1,3-thiazolidin-2-ylidene)amino]methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.09358 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.10086 155.9
[M+Na]+ 272.08280 161.8
[M-H]- 248.08630 162.4
[M+NH4]+ 267.12740 174.0
[M+K]+ 288.05674 158.6
[M+H-H2O]+ 232.09084 147.9
[M+HCOO]- 294.09178 175.6
[M+CH3COO]- 308.10743 196.3
[M+Na-2H]- 270.06825 157.2
[M]+ 249.09303 155.2
[M]- 249.09413 155.2
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.