CID 101133764

(+/-)-rollipyrrole

Structural Information

Molecular Formula
C16H20N2O3
SMILES
CCC1=C(/C(=C/C2(C(=C(C(=O)N2)C)C=C)OC)/NC1=O)C
InChI
InChI=1S/C16H20N2O3/c1-6-11-9(3)13(17-15(11)20)8-16(21-5)12(7-2)10(4)14(19)18-16/h7-8H,2,6H2,1,3-5H3,(H,17,20)(H,18,19)/b13-8-
InChIKey
RDWKBPHIFOCLKH-JYRVWZFOSA-N
Compound name
4-ethenyl-5-[(Z)-(4-ethyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-5-methoxy-3-methyl-1H-pyrrol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.1474 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.15468 170.2
[M+Na]+ 311.13662 179.3
[M+NH4]+ 306.18122 176.0
[M+K]+ 327.11056 176.1
[M-H]- 287.14012 169.1
[M+Na-2H]- 309.12207 172.2
[M]+ 288.14685 170.8
[M]- 288.14795 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.