CID 495442

Nevskin

Structural Information

Molecular Formula
C24H32O5
SMILES
CC1(C2CCC(C(C2(CCC1O)C)COC3=CC4=C(C=C3)C=CC(=O)O4)(C)O)C
InChI
InChI=1S/C24H32O5/c1-22(2)18-9-12-24(4,27)19(23(18,3)11-10-20(22)25)14-28-16-7-5-15-6-8-21(26)29-17(15)13-16/h5-8,13,18-20,25,27H,9-12,14H2,1-4H3
InChIKey
WNANPKYNOALKIV-UHFFFAOYSA-N
Compound name
7-[(2,6-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methoxy]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

400.22498 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.23226 195.6
[M+Na]+ 423.21420 203.2
[M-H]- 399.21770 201.6
[M+NH4]+ 418.25880 212.1
[M+K]+ 439.18814 200.1
[M+H-H2O]+ 383.22224 187.3
[M+HCOO]- 445.22318 205.4
[M+CH3COO]- 459.23883 220.9
[M+Na-2H]- 421.19965 199.1
[M]+ 400.22443 195.7
[M]- 400.22553 195.7
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