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]+ 209.049166 141.3
[M+Na]+ 231.031108 151.6
[M-H]- 207.034614 145.3
[M+NH4]+ 226.075713 160.3
[M+K]+ 247.005048 147.3
[M+H-H2O]+ 191.039150 134.5
[M+HCOO]- 253.040091 161.8
[M+CH3COO]- 267.055741 154.5
[M+Na-2H]- 229.016556 141.5
[M]+ 208.04134142 140.6
[M]- 208.04243858 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.