CID 16227947

4-(2-amino-1,3-thiazol-4-yl)-1h-pyrrole-2-carboxamide

Structural Information

Molecular Formula
C8H8N4OS
SMILES
C1=C(NC=C1C2=CSC(=N2)N)C(=O)N
InChI
InChI=1S/C8H8N4OS/c9-7(13)5-1-4(2-11-5)6-3-14-8(10)12-6/h1-3,11H,(H2,9,13)(H2,10,12)
InChIKey
IICSQRYOJKCSGH-UHFFFAOYSA-N
Compound name
4-(2-amino-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.04189 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.04917 141.3
[M+Na]+ 231.03111 151.6
[M-H]- 207.03461 145.3
[M+NH4]+ 226.07571 160.3
[M+K]+ 247.00505 147.3
[M+H-H2O]+ 191.03915 134.5
[M+HCOO]- 253.04009 161.8
[M+CH3COO]- 267.05574 154.5
[M+Na-2H]- 229.01656 141.5
[M]+ 208.04134 140.6
[M]- 208.04244 140.6
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.