CID 6438164

E 5110

Structural Information

Molecular Formula
C20H29NO3
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C/2\CCN(C2=O)OC
InChI
InChI=1S/C20H29NO3/c1-19(2,3)15-11-13(12-16(17(15)22)20(4,5)6)10-14-8-9-21(24-7)18(14)23/h10-12,22H,8-9H2,1-7H3/b14-10+
InChIKey
NJTQENWDJVHUOX-GXDHUFHOSA-N
Compound name
(3E)-3-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1-methoxypyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

21
Patents

331.21475 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.222026 181.6
[M+Na]+ 354.203968 189.0
[M-H]- 330.207474 186.1
[M+NH4]+ 349.248573 196.5
[M+K]+ 370.177908 185.1
[M+H-H2O]+ 314.212010 175.8
[M+HCOO]- 376.212951 196.9
[M+CH3COO]- 390.228601 210.1
[M+Na-2H]- 352.189416 180.7
[M]+ 331.21420142 183.2
[M]- 331.21529858 183.2
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