CID 3049955

N-(3-methyl-2-thiazolidinylidene)nicotinamide

Structural Information

Molecular Formula
C10H11N3OS
SMILES
CN1CCSC1=NC(=O)C2=CN=CC=C2
InChI
InChI=1S/C10H11N3OS/c1-13-5-6-15-10(13)12-9(14)8-3-2-4-11-7-8/h2-4,7H,5-6H2,1H3
InChIKey
ZLMLIUNCFWMYBB-UHFFFAOYSA-N
Compound name
N-(3-methyl-1,3-thiazolidin-2-ylidene)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

221.06229 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.069566 147.9
[M+Na]+ 244.051508 155.7
[M-H]- 220.055014 153.5
[M+NH4]+ 239.096113 166.2
[M+K]+ 260.025448 153.0
[M+H-H2O]+ 204.059550 139.9
[M+HCOO]- 266.060491 166.1
[M+CH3COO]- 280.076141 188.1
[M+Na-2H]- 242.036956 149.4
[M]+ 221.06174142 147.8
[M]- 221.06283858 147.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe