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
4
Annotation Hits

1284
References

100
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

literature stripe

Patent stripe

patents stripe