CID 130054

Adr 851

Structural Information

Molecular Formula
C14H18ClN3O2
SMILES
C1C[C@H](NC1)CNC(=O)C2=CC(=C(C3=C2OCC3)N)Cl
InChI
InChI=1S/C14H18ClN3O2/c15-11-6-10(13-9(12(11)16)3-5-20-13)14(19)18-7-8-2-1-4-17-8/h6,8,17H,1-5,7,16H2,(H,18,19)/t8-/m0/s1
InChIKey
MPECLPSCJHXWNO-QMMMGPOBSA-N
Compound name
4-amino-5-chloro-N-[[(2S)-pyrrolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

14
Patents

295.10876 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.11604 166.4
[M+Na]+ 318.09798 174.8
[M+NH4]+ 313.14258 173.7
[M+K]+ 334.07192 173.4
[M-H]- 294.10148 170.1
[M+Na-2H]- 316.08343 168.5
[M]+ 295.10821 168.4
[M]- 295.10931 168.4
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