CID 16227950

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

Structural Information

Molecular Formula
C9H9N3O2S
SMILES
COC(=O)C1=CC(=CN1)C2=CSC(=N2)N
InChI
InChI=1S/C9H9N3O2S/c1-14-8(13)6-2-5(3-11-6)7-4-15-9(10)12-7/h2-4,11H,1H3,(H2,10,12)
InChIKey
KCDWYVQFWMKJFN-UHFFFAOYSA-N
Compound name
methyl 4-(2-amino-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.04155 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.04883 146.2
[M+Na]+ 246.03077 156.9
[M-H]- 222.03427 150.6
[M+NH4]+ 241.07537 165.2
[M+K]+ 262.00471 153.4
[M+H-H2O]+ 206.03881 139.6
[M+HCOO]- 268.03975 166.2
[M+CH3COO]- 282.05540 183.6
[M+Na-2H]- 244.01622 146.2
[M]+ 223.04100 148.8
[M]- 223.04210 148.8
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.