CID 3039575

1-((2-indanyl-3-piperidinyl)carbonyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula
C19H26N2O
SMILES
C1CCN(C1)C(=O)C2CCCN(C2)C3CC4=CC=CC=C4C3
InChI
InChI=1S/C19H26N2O/c22-19(20-9-3-4-10-20)17-8-5-11-21(14-17)18-12-15-6-1-2-7-16(15)13-18/h1-2,6-7,17-18H,3-5,8-14H2
InChIKey
PHHWRMAJRZYZMP-UHFFFAOYSA-N
Compound name
[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.2045 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.21178 174.8
[M+Na]+ 321.19372 177.3
[M-H]- 297.19722 181.1
[M+NH4]+ 316.23832 190.8
[M+K]+ 337.16766 172.7
[M+H-H2O]+ 281.20176 165.3
[M+HCOO]- 343.20270 188.3
[M+CH3COO]- 357.21835 183.5
[M+Na-2H]- 319.17917 170.6
[M]+ 298.20395 166.5
[M]- 298.20505 166.5
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.