CID 46220467

Progerinin

Structural Information

Molecular Formula
C23H22O4
SMILES
CC1([C@H](CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC/C=C/C4=CC=CC=C4)C
InChI
InChI=1S/C23H22O4/c1-23(2)21(25-12-6-9-16-7-4-3-5-8-16)14-18-13-17-10-11-22(24)26-19(17)15-20(18)27-23/h3-11,13,15,21H,12,14H2,1-2H3/b9-6+/t21-/m0/s1
InChIKey
KTTIANPTCWGYCN-JLXBBBJOSA-N
Compound name
(3S)-2,2-dimethyl-3-[(E)-3-phenylprop-2-enoxy]-3,4-dihydropyrano[3,2-g]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

32
Patents

362.1518 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.15908 186.9
[M+Na]+ 385.14102 195.5
[M-H]- 361.14452 196.4
[M+NH4]+ 380.18562 200.6
[M+K]+ 401.11496 192.6
[M+H-H2O]+ 345.14906 177.1
[M+HCOO]- 407.15000 203.8
[M+CH3COO]- 421.16565 197.7
[M+Na-2H]- 383.12647 193.4
[M]+ 362.15125 190.6
[M]- 362.15235 190.6
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