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]+ 281.222376 172.1
[M+Na]+ 303.204318 176.1
[M-H]- 279.207824 175.2
[M+NH4]+ 298.248923 188.8
[M+K]+ 319.178258 173.8
[M+H-H2O]+ 263.212360 164.4
[M+HCOO]- 325.213301 187.6
[M+CH3COO]- 339.228951 202.5
[M+Na-2H]- 301.189766 165.7
[M]+ 280.21455142 170.1
[M]- 280.21564858 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

literature stripe

Patent stripe

patents stripe