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]+ 328.165576 177.8
[M+Na]+ 350.147518 183.5
[M-H]- 326.151024 182.5
[M+NH4]+ 345.192123 191.5
[M+K]+ 366.121458 180.0
[M+H-H2O]+ 310.155560 168.7
[M+HCOO]- 372.156501 195.9
[M+CH3COO]- 386.172151 210.4
[M+Na-2H]- 348.132966 178.4
[M]+ 327.15775142 177.9
[M]- 327.15884858 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.