CID 3061123

1h-pyrrole-2-carboxylic acid, 1-methyl-, 5-(aminocarbonyl)-1h-imidazol-4-yl ester

Structural Information

Molecular Formula
C10H10N4O3
SMILES
CN1C=CC=C1C(=O)OC2=C(NC=N2)C(=O)N
InChI
InChI=1S/C10H10N4O3/c1-14-4-2-3-6(14)10(16)17-9-7(8(11)15)12-5-13-9/h2-5H,1H3,(H2,11,15)(H,12,13)
InChIKey
KKIFGNRDLACNSD-UHFFFAOYSA-N
Compound name
(5-carbamoyl-1H-imidazol-4-yl) 1-methylpyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.07529 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.082566 148.4
[M+Na]+ 257.064508 157.6
[M-H]- 233.068014 151.2
[M+NH4]+ 252.109113 164.4
[M+K]+ 273.038448 155.1
[M+H-H2O]+ 217.072550 140.2
[M+HCOO]- 279.073491 171.1
[M+CH3COO]- 293.089141 188.0
[M+Na-2H]- 255.049956 149.8
[M]+ 234.07474142 149.4
[M]- 234.07583858 149.4
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

patents stripe