CID 10265686

Phygrine

Structural Information

Molecular Formula
C16H28N2O2
SMILES
CC(=O)CC1CCC(N1C)CC(=O)CC2CCCN2C
InChI
InChI=1S/C16H28N2O2/c1-12(19)9-14-6-7-15(18(14)3)11-16(20)10-13-5-4-8-17(13)2/h13-15H,4-11H2,1-3H3
InChIKey
UBFAEXSSMSJTQV-UHFFFAOYSA-N
Compound name
1-[1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

280.2151 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.22238 172.1
[M+Na]+ 303.20432 176.1
[M-H]- 279.20782 175.2
[M+NH4]+ 298.24892 188.8
[M+K]+ 319.17826 173.8
[M+H-H2O]+ 263.21236 164.4
[M+HCOO]- 325.21330 187.6
[M+CH3COO]- 339.22895 202.5
[M+Na-2H]- 301.18977 165.7
[M]+ 280.21455 170.1
[M]- 280.21565 170.1
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.