CID 54699182

130398-68-4

Structural Information

Molecular Formula
C23H35NO3
SMILES
CCCCCCCCCCCCOC1=CC=CC(=C1)C2=C(CN(C2=O)C)O
InChI
InChI=1S/C23H35NO3/c1-3-4-5-6-7-8-9-10-11-12-16-27-20-15-13-14-19(17-20)22-21(25)18-24(2)23(22)26/h13-15,17,25H,3-12,16,18H2,1-2H3
InChIKey
KLTKANDBJQMVDA-UHFFFAOYSA-N
Compound name
4-(3-dodecoxyphenyl)-3-hydroxy-1-methyl-2H-pyrrol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

373.2617 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.26898 195.9
[M+Na]+ 396.25092 200.6
[M-H]- 372.25442 198.8
[M+NH4]+ 391.29552 208.2
[M+K]+ 412.22486 195.1
[M+H-H2O]+ 356.25896 187.1
[M+HCOO]- 418.25990 214.5
[M+CH3COO]- 432.27555 219.0
[M+Na-2H]- 394.23637 192.5
[M]+ 373.26115 201.3
[M]- 373.26225 201.3
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

patents stripe