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

3
Patents

234.07529 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.08257 148.4
[M+Na]+ 257.06451 157.6
[M-H]- 233.06801 151.2
[M+NH4]+ 252.10911 164.4
[M+K]+ 273.03845 155.1
[M+H-H2O]+ 217.07255 140.2
[M+HCOO]- 279.07349 171.1
[M+CH3COO]- 293.08914 188.0
[M+Na-2H]- 255.04996 149.8
[M]+ 234.07474 149.4
[M]- 234.07584 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