CID 16076722

1-[3-[2-[[(1s,2r,5s)-6,6-dimethylnorpinan-2-yl]methylamino]ethylamino]propyl]pyrrolidin-2-one

Structural Information

Molecular Formula
C19H35N3O
SMILES
CC1([C@H]2CC[C@H]([C@@H]1C2)CNCCNCCCN3CCCC3=O)C
InChI
InChI=1S/C19H35N3O/c1-19(2)16-7-6-15(17(19)13-16)14-21-10-9-20-8-4-12-22-11-3-5-18(22)23/h15-17,20-21H,3-14H2,1-2H3/t15-,16-,17-/m0/s1
InChIKey
PJVOYKKBYDNOAR-ULQDDVLXSA-N
Compound name
1-[3-[2-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methylamino]ethylamino]propyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.278 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.28528 188.4
[M+Na]+ 344.26722 188.3
[M-H]- 320.27072 187.1
[M+NH4]+ 339.31182 202.0
[M+K]+ 360.24116 187.3
[M+H-H2O]+ 304.27526 176.7
[M+HCOO]- 366.27620 198.7
[M+CH3COO]- 380.29185 221.1
[M+Na-2H]- 342.25267 191.1
[M]+ 321.27745 197.4
[M]- 321.27855 197.4
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

No patent data available for this compound.