CID 72710875

Sonlicromanol

Structural Information

Molecular Formula
C19H28N2O3
SMILES
CC1=C(C2=C(CC[C@@](O2)(C)C(=O)N[C@@H]3CCCNC3)C(=C1O)C)C
InChI
InChI=1S/C19H28N2O3/c1-11-12(2)17-15(13(3)16(11)22)7-8-19(4,24-17)18(23)21-14-6-5-9-20-10-14/h14,20,22H,5-10H2,1-4H3,(H,21,23)/t14-,19+/m1/s1
InChIKey
LZYWLEPSQNXESC-KUHUBIRLSA-N
Compound name
(2S)-6-hydroxy-2,5,7,8-tetramethyl-N-[(3R)-piperidin-3-yl]-3,4-dihydrochromene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1287
References

99
Patents

332.21 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.21728 182.6
[M+Na]+ 355.19922 187.2
[M-H]- 331.20272 185.9
[M+NH4]+ 350.24382 195.3
[M+K]+ 371.17316 183.8
[M+H-H2O]+ 315.20726 174.8
[M+HCOO]- 377.20820 193.1
[M+CH3COO]- 391.22385 211.0
[M+Na-2H]- 353.18467 183.0
[M]+ 332.20945 177.1
[M]- 332.21055 177.1
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.