CID 43810584

Benzyl 1-methyl-6-(methylcarbamoyl)-1h,2h,3h,4h-pyrrolo[1,2-a]pyrazine-2-carboxylate

Structural Information

Molecular Formula
C18H21N3O3
SMILES
CC1C2=CC=C(N2CCN1C(=O)OCC3=CC=CC=C3)C(=O)NC
InChI
InChI=1S/C18H21N3O3/c1-13-15-8-9-16(17(22)19-2)21(15)11-10-20(13)18(23)24-12-14-6-4-3-5-7-14/h3-9,13H,10-12H2,1-2H3,(H,19,22)
InChIKey
JPRKHWBUKSVFOO-UHFFFAOYSA-N
Compound name
benzyl 1-methyl-6-(methylcarbamoyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

327.1583 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.16558 177.8
[M+Na]+ 350.14752 183.5
[M-H]- 326.15102 182.5
[M+NH4]+ 345.19212 191.5
[M+K]+ 366.12146 180.0
[M+H-H2O]+ 310.15556 168.7
[M+HCOO]- 372.15650 195.9
[M+CH3COO]- 386.17215 210.4
[M+Na-2H]- 348.13297 178.4
[M]+ 327.15775 177.9
[M]- 327.15885 177.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.