CID 808227

Piperlotine c

Structural Information

Molecular Formula
C16H21NO4
SMILES
COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCCC2
InChI
InChI=1S/C16H21NO4/c1-19-13-10-12(11-14(20-2)16(13)21-3)6-7-15(18)17-8-4-5-9-17/h6-7,10-11H,4-5,8-9H2,1-3H3/b7-6+
InChIKey
TYFKYDTUEMTUNY-VOTSOKGWSA-N
Compound name
(E)-1-pyrrolidin-1-yl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

2
Patents

291.14706 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.15434 167.9
[M+Na]+ 314.13628 174.3
[M-H]- 290.13978 173.0
[M+NH4]+ 309.18088 183.9
[M+K]+ 330.11022 172.0
[M+H-H2O]+ 274.14432 160.1
[M+HCOO]- 336.14526 188.4
[M+CH3COO]- 350.16091 200.8
[M+Na-2H]- 312.12173 167.3
[M]+ 291.14651 170.8
[M]- 291.14761 170.8
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