CID 9847990

Sk-951

Structural Information

Molecular Formula
C19H26ClN3O2
SMILES
C[C@H]1CC2=C(O1)C(=CC(=C2N)Cl)C(=O)NCCC34CCCN3CCC4
InChI
InChI=1S/C19H26ClN3O2/c1-12-10-13-16(21)15(20)11-14(17(13)25-12)18(24)22-7-6-19-4-2-8-23(19)9-3-5-19/h11-12H,2-10,21H2,1H3,(H,22,24)/t12-/m0/s1
InChIKey
LGQZKCZPAAOBGL-LBPRGKRZSA-N
Compound name
(2S)-4-amino-5-chloro-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.17136 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.17864 189.3
[M+Na]+ 386.16058 195.5
[M-H]- 362.16408 196.3
[M+NH4]+ 381.20518 208.5
[M+K]+ 402.13452 190.5
[M+H-H2O]+ 346.16862 183.9
[M+HCOO]- 408.16956 202.1
[M+CH3COO]- 422.18521 198.9
[M+Na-2H]- 384.14603 186.1
[M]+ 363.17081 188.7
[M]- 363.17191 188.7
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

No patent data available for this compound.